1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine

C20H27FN4O — CID 45222958

IUPAC1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine
SMILESCc1nc(N2CCCC(NC3CCOCC3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C20H27FN4O/c1-14-18-13-15(21)4-5-19(18)24-20(22-14)25-9-2-3-16(6-10-25)23-17-7-11-26-12-8-17/h4-5,13,16-17,23H,2-3,6-12H2,1H3
InChIKeyIGWMMPXAKDIDLD-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.20
Rot. Bonds3

About 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine

1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine (PubChem CID 45222958) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine.

Molecular Properties

Compound Name1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine
PubChem CID45222958
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine
SMILESCc1nc(N2CCCC(NC3CCOCC3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C20H27FN4O/c1-14-18-13-15(21)4-5-19(18)24-20(22-14)25-9-2-3-16(6-10-25)23-17-7-11-26-12-8-17/h4-5,13,16-17,23H,2-3,6-12H2,1H3
InChIKeyIGWMMPXAKDIDLD-UHFFFAOYSA-N
XLogP3.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(6-fluoro-4-methylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)azepan-4-amine
CID 125165033
6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
CID 139333383
N-[(3,4-difluorophenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
CID 118758469
N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
CID 45242627
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxan-4-ylmethyl)azepan-4-amine
CID 45168543
(4R)-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine
CID 124756093
[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone
CID 45210473
1-(6-fluoro-4-methylquinazolin-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]piperidine-4-carboxamide
CID 29152457
[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 42162830
2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline
CID 45192143
[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42248070
(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine
CID 26344248

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine?
The IUPAC name of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine (CID 45222958) is 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine.
What is the SMILES notation for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine?
The canonical SMILES for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine is Cc1nc(N2CCCC(NC3CCOCC3)CC2)nc2ccc(F)cc12.
What is the InChIKey of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine?
The InChIKey is IGWMMPXAKDIDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-14-18-13-15(21)4-5-19(18)24-20(22-14)25-9-2-3-16(6-10-25)23-17-7-11-26-12-8-17/h4-5,13,16-17,23H,2-3,6-12H2,1H3.
What are the key properties of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine?
1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine has a molecular weight of 358.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine is sourced from PubChem (CID 45222958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).