N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine

C24H29FN4O2 — CID 45242627

IUPACN-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
SMILESCOc1cccc(OC)c1CNC1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1
InChIInChI=1S/C24H29FN4O2/c1-16-19-14-17(25)9-10-21(19)28-24(27-16)29-12-5-6-18(11-13-29)26-15-20-22(30-2)7-4-8-23(20)31-3/h4,7-10,14,18,26H,5-6,11-13,15H2,1-3H3
InChIKeyCLAZBMSMJCGYOE-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.24
Rot. Bonds6

About N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine

N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine (PubChem CID 45242627) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
PubChem CID45242627
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
SMILESCOc1cccc(OC)c1CNC1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1
InChIInChI=1S/C24H29FN4O2/c1-16-19-14-17(25)9-10-21(19)28-24(27-16)29-12-5-6-18(11-13-29)26-15-20-22(30-2)7-4-8-23(20)31-3/h4,7-10,14,18,26H,5-6,11-13,15H2,1-3H3
InChIKeyCLAZBMSMJCGYOE-UHFFFAOYSA-N
XLogP4.24
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine with MolForge

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Related Compounds

(4R)-1-(6-fluoro-4-methylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)azepan-4-amine
CID 125165033
N-[(3,4-difluorophenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
CID 118758469
1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine
CID 45222958
N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
CID 126466428
6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
CID 139333383
1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 126465178
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
CID 126464042
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(2-pyrazol-1-ylethyl)azepan-4-amine
CID 45202558
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxan-4-ylmethyl)azepan-4-amine
CID 45168543
(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine
CID 26344248
1-(4,7-dimethylquinazolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azepan-4-amine
CID 45237768
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(3-pyridin-3-ylpropyl)azepan-4-amine
CID 45196940

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine (CID 45242627) is N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine is COc1cccc(OC)c1CNC1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine?
The InChIKey is CLAZBMSMJCGYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-16-19-14-17(25)9-10-21(19)28-24(27-16)29-12-5-6-18(11-13-29)26-15-20-22(30-2)7-4-8-23(20)31-3/h4,7-10,14,18,26H,5-6,11-13,15H2,1-3H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine?
N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine has a molecular weight of 424.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine is sourced from PubChem (CID 45242627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).