3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

C17H22N4O4 — CID 166246986

IUPAC3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCCN3CC[C@@H](O)C3)ccc2c1=O
InChIInChI=1S/C17H22N4O4/c1-2-21-16(24)13-4-3-11(9-14(13)19-17(21)25)15(23)18-6-8-20-7-5-12(22)10-20/h3-4,9,12,22H,2,5-8,10H2,1H3,(H,18,23)(H,19,25)/t12-/m1/s1
InChIKeyKTFVYRZSDZCDQX-GFCCVEGCSA-N
MW346.39 g/mol
LogP-0.49
Rot. Bonds5

About 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 166246986) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID166246986
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCCN3CC[C@@H](O)C3)ccc2c1=O
InChIInChI=1S/C17H22N4O4/c1-2-21-16(24)13-4-3-11(9-14(13)19-17(21)25)15(23)18-6-8-20-7-5-12(22)10-20/h3-4,9,12,22H,2,5-8,10H2,1H3,(H,18,23)(H,19,25)/t12-/m1/s1
InChIKeyKTFVYRZSDZCDQX-GFCCVEGCSA-N
XLogP-0.49
TPSA107.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide with MolForge

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Related Compounds

3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136580955
2,4-dioxo-3-(2-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)-1H-quinazoline-7-carboxamide
CID 3241648
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide
CID 15998067
3-ethyl-N-[2-(furan-2-yl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 47051903
3-ethyl-N-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166367509
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52513606
tert-butyl 3-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]pyrrolidine-1-carboxylate
CID 167871842
3-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55958523
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 71940191
3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide
CID 166216984
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166203024

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 166246986) is 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)NCCN3CC[C@@H](O)C3)ccc2c1=O.
What is the InChIKey of 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is KTFVYRZSDZCDQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-2-21-16(24)13-4-3-11(9-14(13)19-17(21)25)15(23)18-6-8-20-7-5-12(22)10-20/h3-4,9,12,22H,2,5-8,10H2,1H3,(H,18,23)(H,19,25)/t12-/m1/s1.
What are the key properties of 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 346.39 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 166246986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).