(3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide

C17H20N4O3 — CID 136849640

IUPAC(3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1=O
InChIInChI=1S/C17H20N4O3/c1-10(2)7-21-8-11(5-15(21)22)16(23)20-12-3-4-14-13(6-12)17(24)19-9-18-14/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,20,23)(H,18,19,24)/t11-/m0/s1
InChIKeyFECIDUNRFQZKDC-NSHDSACASA-N
MW328.37 g/mol
LogP1.37
Rot. Bonds4

About (3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide

(3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide (PubChem CID 136849640) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide
PubChem CID136849640
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1=O
InChIInChI=1S/C17H20N4O3/c1-10(2)7-21-8-11(5-15(21)22)16(23)20-12-3-4-14-13(6-12)17(24)19-9-18-14/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,20,23)(H,18,19,24)/t11-/m0/s1
InChIKeyFECIDUNRFQZKDC-NSHDSACASA-N
XLogP1.37
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
(3S)-1-(2,4-dimethoxyphenyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide
CID 136869730
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate
CID 37028365
N-[4-(tert-butylcarbamoyl)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46598239
(3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51591237
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46596910
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46445950
(3R)-N-[3-chloro-4-[[(2S)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]amino]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95349759
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
N-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183590
N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597297

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide (CID 136849640) is (3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide is CC(C)CN1C[C@@H](C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1=O.
What is the InChIKey of (3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is FECIDUNRFQZKDC-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10(2)7-21-8-11(5-15(21)22)16(23)20-12-3-4-14-13(6-12)17(24)19-9-18-14/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,20,23)(H,18,19,24)/t11-/m0/s1.
What are the key properties of (3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide?
(3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136849640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).