[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone

C29H37N5O3 — CID 18540710

IUPAC[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone
SMILESCOc1cc2nc(N(C)CC3(c4ccccc4)CCN(C(=O)C4CCCC4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C29H37N5O3/c1-33(28-31-23-18-25(37-3)24(36-2)17-22(23)26(30)32-28)19-29(21-11-5-4-6-12-21)13-15-34(16-14-29)27(35)20-9-7-8-10-20/h4-6,11-12,17-18,20H,7-10,13-16,19H2,1-3H3,(H2,30,31,32)
InChIKeyICFATMOENFEDSE-UHFFFAOYSA-N
MW503.65 g/mol
LogP4.42
Rot. Bonds7

About [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone

[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone (PubChem CID 18540710) has the molecular formula C29H37N5O3 and a molecular weight of 503.65 g/mol. Its IUPAC name is [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone
PubChem CID18540710
Molecular FormulaC29H37N5O3
Molecular Weight503.65 g/mol
Exact Mass503.29
IUPAC Name[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone
SMILESCOc1cc2nc(N(C)CC3(c4ccccc4)CCN(C(=O)C4CCCC4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C29H37N5O3/c1-33(28-31-23-18-25(37-3)24(36-2)17-22(23)26(30)32-28)19-29(21-11-5-4-6-12-21)13-15-34(16-14-29)27(35)20-9-7-8-10-20/h4-6,11-12,17-18,20H,7-10,13-16,19H2,1-3H3,(H2,30,31,32)
InChIKeyICFATMOENFEDSE-UHFFFAOYSA-N
XLogP4.42
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone with MolForge

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Related Compounds

1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one
CID 18540724
carbamoyl 4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidine-1-carboxylate
CID 91254220
1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 18540763
4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 18540734
6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
CID 11486612
2-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-3-hydroxypropanal
CID 175236746
2-N-[[1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperidin-4-yl]methyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 91206970
[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 56557141
[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 45259834
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 54245050
[1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 126463047
N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide
CID 46878170

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone (CID 18540710) is [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone is COc1cc2nc(N(C)CC3(c4ccccc4)CCN(C(=O)C4CCCC4)CC3)nc(N)c2cc1OC.
What is the InChIKey of [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone?
The InChIKey is ICFATMOENFEDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O3/c1-33(28-31-23-18-25(37-3)24(36-2)17-22(23)26(30)32-28)19-29(21-11-5-4-6-12-21)13-15-34(16-14-29)27(35)20-9-7-8-10-20/h4-6,11-12,17-18,20H,7-10,13-16,19H2,1-3H3,(H2,30,31,32).
What are the key properties of [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone?
[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone has a molecular weight of 503.65 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 18540710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).