N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide

C20H20N4O2 — CID 136706433

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(NCc1nc2ccccc2c(=O)[nH]1)c1ccccc1[C@@H]1CCNC1
InChIInChI=1S/C20H20N4O2/c25-19(15-6-2-1-5-14(15)13-9-10-21-11-13)22-12-18-23-17-8-4-3-7-16(17)20(26)24-18/h1-8,13,21H,9-12H2,(H,22,25)(H,23,24,26)/t13-/m1/s1
InChIKeyASXTUPBWTBNWQM-CYBMUJFWSA-N
MW348.41 g/mol
LogP1.93
Rot. Bonds4

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 136706433) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID136706433
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(NCc1nc2ccccc2c(=O)[nH]1)c1ccccc1[C@@H]1CCNC1
InChIInChI=1S/C20H20N4O2/c25-19(15-6-2-1-5-14(15)13-9-10-21-11-13)22-12-18-23-17-8-4-3-7-16(17)20(26)24-18/h1-8,13,21H,9-12H2,(H,22,25)(H,23,24,26)/t13-/m1/s1
InChIKeyASXTUPBWTBNWQM-CYBMUJFWSA-N
XLogP1.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95726988
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 135990311
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95707440
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95713576
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136967913
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 135860483
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95729073
4-pyrrolidin-3-yl-3H-quinazolin-2-one
CID 105468545
1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 167985401
4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 137119936
4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-piperidin-3-ylmorpholine-2-carboxamide
CID 137140921

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide (CID 136706433) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide is O=C(NCc1nc2ccccc2c(=O)[nH]1)c1ccccc1[C@@H]1CCNC1.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is ASXTUPBWTBNWQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(15-6-2-1-5-14(15)13-9-10-21-11-13)22-12-18-23-17-8-4-3-7-16(17)20(26)24-18/h1-8,13,21H,9-12H2,(H,22,25)(H,23,24,26)/t13-/m1/s1.
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 136706433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).