(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone

C22H23N3O — CID 56913931

IUPAC(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
SMILESNC1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C22H23N3O/c23-17-9-6-13-25(14-12-17)22(26)19-15-21(16-7-2-1-3-8-16)24-20-11-5-4-10-18(19)20/h1-5,7-8,10-11,15,17H,6,9,12-14,23H2
InChIKeyFKSSVTHJZQZAAZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.86
Rot. Bonds2

About (4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone

(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone (PubChem CID 56913931) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
PubChem CID56913931
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
SMILESNC1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C22H23N3O/c23-17-9-6-13-25(14-12-17)22(26)19-15-21(16-7-2-1-3-8-16)24-20-11-5-4-10-18(19)20/h1-5,7-8,10-11,15,17H,6,9,12-14,23H2
InChIKeyFKSSVTHJZQZAAZ-UHFFFAOYSA-N
XLogP3.86
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 44758914
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238

Frequently Asked Questions

What is the IUPAC name of (4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone?
The IUPAC name of (4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone (CID 56913931) is (4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for (4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone?
The canonical SMILES for (4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone is NC1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of (4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone?
The InChIKey is FKSSVTHJZQZAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c23-17-9-6-13-25(14-12-17)22(26)19-15-21(16-7-2-1-3-8-16)24-20-11-5-4-10-18(19)20/h1-5,7-8,10-11,15,17H,6,9,12-14,23H2.
What are the key properties of (4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone?
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 56913931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).