(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

C19H23N3O — CID 78794847

IUPAC(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C19H23N3O/c1-21-9-4-10-22(12-11-21)19(23)16-13-18(14-7-8-14)20-17-6-3-2-5-15(16)17/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyIHCJJIGCGUSHDP-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.89
Rot. Bonds2

About (2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 78794847) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID78794847
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C19H23N3O/c1-21-9-4-10-22(12-11-21)19(23)16-13-18(14-7-8-14)20-17-6-3-2-5-15(16)17/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyIHCJJIGCGUSHDP-UHFFFAOYSA-N
XLogP2.89
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 92636312
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
[2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 92638714
[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 92638584
1-[3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-propan-2-yloxyethanone
CID 110251561
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid
CID 126838949
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
(2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31425869
5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157016747
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 78794847) is (2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1.
What is the InChIKey of (2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is IHCJJIGCGUSHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-9-4-10-22(12-11-21)19(23)16-13-18(14-7-8-14)20-17-6-3-2-5-15(16)17/h2-3,5-6,13-14H,4,7-12H2,1H3.
What are the key properties of (2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 78794847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).