5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol

C88H101N21O11 — CID 158549979

IUPAC5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)c(=O)[nH]4)CC3)c2cc1OCC1CNCCO1.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)c(=O)[nH]4)CC3)c2cc1OC[C@H]1CNCCO1.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OC1CCN(CCO)C1
InChIInChI=1S/C30H35N7O3.2C29H33N7O4/c1-39-27-17-26-25(16-28(27)40-24-7-8-35(20-24)13-14-38)29(34-21-33-26)36-9-11-37(12-10-36)30-31-18-23(19-32-30)15-22-5-3-2-4-6-22;2*1-38-25-15-24-23(14-26(25)40-18-22-17-30-7-12-39-22)27(33-19-32-24)35-8-10-36(11-9-35)29-31-16-21(28(37)34-29)13-20-5-3-2-4-6-20/h2-6,16-19,21,24,38H,7-15,20H2,1H3;2*2-6,14-16,19,22,30H,7-13,17-18H2,1H3,(H,31,34,37)/t;22-;/m.1./s1
InChIKeyHPPCRYFYJMXZAI-WOKZNWHXSA-N
MW1628.91 g/mol
LogP6.80
Rot. Bonds25

About 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol

5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol (PubChem CID 158549979) has the molecular formula C88H101N21O11 and a molecular weight of 1628.91 g/mol. Its IUPAC name is 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol
PubChem CID158549979
Molecular FormulaC88H101N21O11
Molecular Weight1628.91 g/mol
Exact Mass1627.80
IUPAC Name5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)c(=O)[nH]4)CC3)c2cc1OCC1CNCCO1.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)c(=O)[nH]4)CC3)c2cc1OC[C@H]1CNCCO1.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OC1CCN(CCO)C1
InChIInChI=1S/C30H35N7O3.2C29H33N7O4/c1-39-27-17-26-25(16-28(27)40-24-7-8-35(20-24)13-14-38)29(34-21-33-26)36-9-11-37(12-10-36)30-31-18-23(19-32-30)15-22-5-3-2-4-6-22;2*1-38-25-15-24-23(14-26(25)40-18-22-17-30-7-12-39-22)27(33-19-32-24)35-8-10-36(11-9-35)29-31-16-21(28(37)34-29)13-20-5-3-2-4-6-20/h2-6,16-19,21,24,38H,7-15,20H2,1H3;2*2-6,14-16,19,22,30H,7-13,17-18H2,1H3,(H,31,34,37)/t;22-;/m.1./s1
InChIKeyHPPCRYFYJMXZAI-WOKZNWHXSA-N
XLogP6.80
TPSA335.43 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.91
LogP ≤ 56.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

5-benzyl-2-[4-[4-[[1-(piperidin-4-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1H-pyrimidin-6-one;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]methyl]piperidin-4-ol
CID 161383011
5-benzyl-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]-1,3-diazinan-4-one
CID 146047904
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 11553351
7-methoxy-6-(morpholin-2-ylmethoxy)-N-(4-propylphenyl)quinazolin-4-amine
CID 142675011
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621
4-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]morpholine
CID 11111537
7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline
CID 57328250
4-[6-methoxy-7-(3-piperidin-3-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxylic acid
CID 68636592
2-tert-butyl-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)-1,4-diazepane-1-carboxylic acid
CID 166071289
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 14668436

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol?
The IUPAC name of 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol (CID 158549979) is 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol.
What is the SMILES notation for 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol?
The canonical SMILES for 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol is COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)c(=O)[nH]4)CC3)c2cc1OCC1CNCCO1.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)c(=O)[nH]4)CC3)c2cc1OC[C@H]1CNCCO1.COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OC1CCN(CCO)C1.
What is the InChIKey of 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol?
The InChIKey is HPPCRYFYJMXZAI-WOKZNWHXSA-N. The full InChI is InChI=1S/C30H35N7O3.2C29H33N7O4/c1-39-27-17-26-25(16-28(27)40-24-7-8-35(20-24)13-14-38)29(34-21-33-26)36-9-11-37(12-10-36)30-31-18-23(19-32-30)15-22-5-3-2-4-6-22;2*1-38-25-15-24-23(14-26(25)40-18-22-17-30-7-12-39-22)27(33-19-32-24)35-8-10-36(11-9-35)29-31-16-21(28(37)34-29)13-20-5-3-2-4-6-20/h2-6,16-19,21,24,38H,7-15,20H2,1H3;2*2-6,14-16,19,22,30H,7-13,17-18H2,1H3,(H,31,34,37)/t;22-;/m.1./s1.
What are the key properties of 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol?
5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol has a molecular weight of 1628.91 g/mol, XLogP of 6.80, 25 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[4-[7-methoxy-6-[[(2R)-morpholin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;5-benzyl-2-[4-[7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]-1H-pyrimidin-6-one;2-[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]ethanol is sourced from PubChem (CID 158549979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).