2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol

C29H32N4O2 — CID 118610246

IUPAC2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(-c3ccccc3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C29H32N4O2/c1-32(18-19-34)23-12-13-26-25(20-23)29(31-28(30-26)22-8-4-3-5-9-22)33-16-14-21(15-17-33)24-10-6-7-11-27(24)35-2/h3-13,20-21,34H,14-19H2,1-2H3
InChIKeyBODOCBQUMDLJMW-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.12
Rot. Bonds7

About 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol

2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol (PubChem CID 118610246) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol
PubChem CID118610246
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(-c3ccccc3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C29H32N4O2/c1-32(18-19-34)23-12-13-26-25(20-23)29(31-28(30-26)22-8-4-3-5-9-22)33-16-14-21(15-17-33)24-10-6-7-11-27(24)35-2/h3-13,20-21,34H,14-19H2,1-2H3
InChIKeyBODOCBQUMDLJMW-UHFFFAOYSA-N
XLogP5.12
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol with MolForge

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Related Compounds

7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol
CID 118610427
5-[(1-Benzylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine
CID 57576574
2-[2-(3-Methoxy-phenylamino)-quinazolin-4-ylamino]-ethanol
CID 11834445
2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-ethylamino]quinazoline
CID 25099170
7-(2-Ethoxyphenyl)quinazoline-2,4-diamine
CID 56666219
N-(5-methoxynaphthalen-2-yl)-N,2-dimethylquinazolin-4-amine
CID 162648470
4-(Piperidin-1-yl)-2-(4-propoxyphenyl)quinazoline
CID 1590578
N6-[(2,4-dimethoxyphenyl)methyl]-N6-methyl-quinazoline-2,4,6-triamine
CID 462129
N4-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 509545
2-({2-[(3-Methoxyphenyl)amino]quinazolin-4-yl}amino)ethanol
CID 2142796

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol (CID 118610246) is 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol is COc1ccccc1C1CCN(c2nc(-c3ccccc3)nc3ccc(N(C)CCO)cc23)CC1.
What is the InChIKey of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol?
The InChIKey is BODOCBQUMDLJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-32(18-19-34)23-12-13-26-25(20-23)29(31-28(30-26)22-8-4-3-5-9-22)33-16-14-21(15-17-33)24-10-6-7-11-27(24)35-2/h3-13,20-21,34H,14-19H2,1-2H3.
What are the key properties of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol?
2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol has a molecular weight of 468.60 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 118610246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).