(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine

C24H30N4 — CID 26344248

IUPAC(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine
SMILESCc1ccc2c(C)nc(N3CCC[C@@H](NCCc4ccccc4)CC3)nc2c1
InChIInChI=1S/C24H30N4/c1-18-10-11-22-19(2)26-24(27-23(22)17-18)28-15-6-9-21(13-16-28)25-14-12-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,21,25H,6,9,12-16H2,1-2H3/t21-/m1/s1
InChIKeyUBXQXNLDPYKKSR-OAQYLSRUSA-N
MW374.53 g/mol
LogP4.44
Rot. Bonds5

About (4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine

(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine (PubChem CID 26344248) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is (4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine.

Molecular Properties

Compound Name(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine
PubChem CID26344248
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine
SMILESCc1ccc2c(C)nc(N3CCC[C@@H](NCCc4ccccc4)CC3)nc2c1
InChIInChI=1S/C24H30N4/c1-18-10-11-22-19(2)26-24(27-23(22)17-18)28-15-6-9-21(13-16-28)25-14-12-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,21,25H,6,9,12-16H2,1-2H3/t21-/m1/s1
InChIKeyUBXQXNLDPYKKSR-OAQYLSRUSA-N
XLogP4.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine?
The IUPAC name of (4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine (CID 26344248) is (4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine.
What is the SMILES notation for (4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine?
The canonical SMILES for (4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine is Cc1ccc2c(C)nc(N3CCC[C@@H](NCCc4ccccc4)CC3)nc2c1.
What is the InChIKey of (4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine?
The InChIKey is UBXQXNLDPYKKSR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N4/c1-18-10-11-22-19(2)26-24(27-23(22)17-18)28-15-6-9-21(13-16-28)25-14-12-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,21,25H,6,9,12-16H2,1-2H3/t21-/m1/s1.
What are the key properties of (4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine?
(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine has a molecular weight of 374.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine is sourced from PubChem (CID 26344248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).