(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide

C16H20N4O2 — CID 137036977

IUPAC(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C16H20N4O2/c1-2-20(16(22)13-8-5-9-17-13)10-14-18-12-7-4-3-6-11(12)15(21)19-14/h3-4,6-7,13,17H,2,5,8-10H2,1H3,(H,18,19,21)/t13-/m1/s1
InChIKeyYUSXOODJFCWINA-CYBMUJFWSA-N
MW300.36 g/mol
LogP1.02
Rot. Bonds4

About (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide

(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 137036977) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID137036977
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C16H20N4O2/c1-2-20(16(22)13-8-5-9-17-13)10-14-18-12-7-4-3-6-11(12)15(21)19-14/h3-4,6-7,13,17H,2,5,8-10H2,1H3,(H,18,19,21)/t13-/m1/s1
InChIKeyYUSXOODJFCWINA-CYBMUJFWSA-N
XLogP1.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 137118075
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide
CID 137078511
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
CID 137132800
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 137132799
N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide
CID 137216385
trans-(1S,2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 137137328
trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide
CID 137131249
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702776
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
3-cyclohexyl-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789332
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide (CID 137036977) is (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is YUSXOODJFCWINA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-20(16(22)13-8-5-9-17-13)10-14-18-12-7-4-3-6-11(12)15(21)19-14/h3-4,6-7,13,17H,2,5,8-10H2,1H3,(H,18,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide?
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 137036977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).