7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one

C17H19N3O3 — CID 138382545

IUPAC7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(C(=O)N3CCCC3C3(O)CC3)ccc2c1=O
InChIInChI=1S/C17H19N3O3/c1-19-10-18-13-9-11(4-5-12(13)16(19)22)15(21)20-8-2-3-14(20)17(23)6-7-17/h4-5,9-10,14,23H,2-3,6-8H2,1H3
InChIKeyCQTSIDOTZRIIQY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.06
Rot. Bonds2

About 7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one

7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one (PubChem CID 138382545) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one
PubChem CID138382545
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(C(=O)N3CCCC3C3(O)CC3)ccc2c1=O
InChIInChI=1S/C17H19N3O3/c1-19-10-18-13-9-11(4-5-12(13)16(19)22)15(21)20-8-2-3-14(20)17(23)6-7-17/h4-5,9-10,14,23H,2-3,6-8H2,1H3
InChIKeyCQTSIDOTZRIIQY-UHFFFAOYSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 138379629
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one
CID 164691690
3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one
CID 135104063
7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56878661
(5S)-9-(3-methyl-4-oxoquinazoline-7-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724265
7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56702148
(2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide
CID 70729975
(5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
CID 138385331
(3S,4S)-1-(3-methyl-4-oxoquinazoline-7-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
CID 70725153
(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
CID 138380566

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one (CID 138382545) is 7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one is Cn1cnc2cc(C(=O)N3CCCC3C3(O)CC3)ccc2c1=O.
What is the InChIKey of 7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one?
The InChIKey is CQTSIDOTZRIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19-10-18-13-9-11(4-5-12(13)16(19)22)15(21)20-8-2-3-14(20)17(23)6-7-17/h4-5,9-10,14,23H,2-3,6-8H2,1H3.
What are the key properties of 7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one?
7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one has a molecular weight of 313.36 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 138382545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).