N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide

C21H22N4O4 — CID 137315312

IUPACN-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C21H22N4O4/c1-2-24(13-18-22-15-8-4-3-7-14(15)19(26)23-18)20(27)16-9-5-11-25(16)21(28)17-10-6-12-29-17/h3-4,6-8,10,12,16H,2,5,9,11,13H2,1H3,(H,22,23,26)
InChIKeyLDSCQDOBAMRCKP-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.17
Rot. Bonds5

About N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide

N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 137315312) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID137315312
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C21H22N4O4/c1-2-24(13-18-22-15-8-4-3-7-14(15)19(26)23-18)20(27)16-9-5-11-25(16)21(28)17-10-6-12-29-17/h3-4,6-8,10,12,16H,2,5,9,11,13H2,1H3,(H,22,23,26)
InChIKeyLDSCQDOBAMRCKP-UHFFFAOYSA-N
XLogP2.17
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

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
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 137036977
trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide
CID 137131249
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 137118075
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702776
N-[(4-chlorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135429053
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830
2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3H-quinazolin-4-one
CID 135777794
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide
CID 137078511
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821063

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide (CID 137315312) is N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is LDSCQDOBAMRCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-2-24(13-18-22-15-8-4-3-7-14(15)19(26)23-18)20(27)16-9-5-11-25(16)21(28)17-10-6-12-29-17/h3-4,6-8,10,12,16H,2,5,9,11,13H2,1H3,(H,22,23,26).
What are the key properties of N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide?
N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 137315312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).