7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one

C17H17ClN4O2 — CID 136749351

IUPAC7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
SMILESCc1cc([C@@H]2CCCN2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)on1
InChIInChI=1S/C17H17ClN4O2/c1-10-7-15(24-21-10)14-3-2-6-22(14)9-16-19-13-8-11(18)4-5-12(13)17(23)20-16/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,19,20,23)/t14-/m0/s1
InChIKeyNNQAGXPGPAOUTD-AWEZNQCLSA-N
MW344.80 g/mol
LogP3.21
Rot. Bonds3

About 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one

7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one (PubChem CID 136749351) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
PubChem CID136749351
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
SMILESCc1cc([C@@H]2CCCN2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)on1
InChIInChI=1S/C17H17ClN4O2/c1-10-7-15(24-21-10)14-3-2-6-22(14)9-16-19-13-8-11(18)4-5-12(13)17(23)20-16/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,19,20,23)/t14-/m0/s1
InChIKeyNNQAGXPGPAOUTD-AWEZNQCLSA-N
XLogP3.21
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

6-chloro-2-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135812515
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
6-chloro-2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136688095
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727
5-[1-[(4-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 46952927
5-[1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53009613
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
7-chloro-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
CID 135751556
ethyl 1-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxylate
CID 135543495
5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056207

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one (CID 136749351) is 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one is Cc1cc([C@@H]2CCCN2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)on1.
What is the InChIKey of 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is NNQAGXPGPAOUTD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10-7-15(24-21-10)14-3-2-6-22(14)9-16-19-13-8-11(18)4-5-12(13)17(23)20-16/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,19,20,23)/t14-/m0/s1.
What are the key properties of 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 344.80 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136749351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).