[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone

C17H19FN4O2 — CID 45210473

IUPAC[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCc1nc(N2CCCC2C(=O)N2CCCO2)nc2ccc(F)cc12
InChIInChI=1S/C17H19FN4O2/c1-11-13-10-12(18)5-6-14(13)20-17(19-11)21-7-2-4-15(21)16(23)22-8-3-9-24-22/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyICNVDVHINYWICX-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.21
Rot. Bonds2

About [1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone

[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 45210473) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is [1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID45210473
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCc1nc(N2CCCC2C(=O)N2CCCO2)nc2ccc(F)cc12
InChIInChI=1S/C17H19FN4O2/c1-11-13-10-12(18)5-6-14(13)20-17(19-11)21-7-2-4-15(21)16(23)22-8-3-9-24-22/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyICNVDVHINYWICX-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone
CID 42483271
4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45171634
1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 45198629
N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 45209149
1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine
CID 45222958
6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
CID 139333383
2-azabicyclo[2.2.1]heptan-2-yl-[1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 45217025
[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 51901047
(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122059626
(4R)-1-(6-fluoro-4-methylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)azepan-4-amine
CID 125165033
1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 82538014
methyl (2S)-2-[[(2S)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoate
CID 42320951

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone (CID 45210473) is [1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone is Cc1nc(N2CCCC2C(=O)N2CCCO2)nc2ccc(F)cc12.
What is the InChIKey of [1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is ICNVDVHINYWICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-13-10-12(18)5-6-14(13)20-17(19-11)21-7-2-4-15(21)16(23)22-8-3-9-24-22/h5-6,10,15H,2-4,7-9H2,1H3.
What are the key properties of [1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 330.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 45210473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).