(2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide

C17H22N4O4 — CID 135952066

IUPAC(2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
SMILESCOc1cc2nc(CN3CCCC[C@@H]3C(N)=O)[nH]c(=O)c2cc1OC
InChIInChI=1S/C17H22N4O4/c1-24-13-7-10-11(8-14(13)25-2)19-15(20-17(10)23)9-21-6-4-3-5-12(21)16(18)22/h7-8,12H,3-6,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t12-/m1/s1
InChIKeyPHPBCYCZNTVHQY-GFCCVEGCSA-N
MW346.39 g/mol
LogP0.78
Rot. Bonds5

About (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide

(2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 135952066) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
PubChem CID135952066
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name(2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
SMILESCOc1cc2nc(CN3CCCC[C@@H]3C(N)=O)[nH]c(=O)c2cc1OC
InChIInChI=1S/C17H22N4O4/c1-24-13-7-10-11(8-14(13)25-2)19-15(20-17(10)23)9-21-6-4-3-5-12(21)16(18)22/h7-8,12H,3-6,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t12-/m1/s1
InChIKeyPHPBCYCZNTVHQY-GFCCVEGCSA-N
XLogP0.78
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide with MolForge

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Related Compounds

2-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135933558
6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135715079
6,7-dimethoxy-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951577
N-cyclohexyl-4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 135938889
4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 135973687
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407
ethyl (3S)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate
CID 135767708
ethyl (3R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate
CID 135767706
6,7-dimethoxy-2-[[(3R,4R)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136826347
6,7-dimethoxy-2-[[(3S,4S)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136703844
2-[[4-(2-chlorobenzoyl)piperazin-1-yl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135877359
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
CID 137132800

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide (CID 135952066) is (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide is COc1cc2nc(CN3CCCC[C@@H]3C(N)=O)[nH]c(=O)c2cc1OC.
What is the InChIKey of (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is PHPBCYCZNTVHQY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-24-13-7-10-11(8-14(13)25-2)19-15(20-17(10)23)9-21-6-4-3-5-12(21)16(18)22/h7-8,12H,3-6,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t12-/m1/s1.
What are the key properties of (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide?
(2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 135952066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).