[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone

C24H25N3O — CID 70774943

IUPAC[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C24H25N3O/c28-24(21-8-9-23-20(15-21)7-3-10-25-23)27-12-4-11-26(13-14-27)22-16-18-5-1-2-6-19(18)17-22/h1-3,5-10,15,22H,4,11-14,16-17H2
InChIKeyLHZASOLIQCKKQF-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.55
Rot. Bonds2

About [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone

[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone (PubChem CID 70774943) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone
PubChem CID70774943
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C24H25N3O/c28-24(21-8-9-23-20(15-21)7-3-10-25-23)27-12-4-11-26(13-14-27)22-16-18-5-1-2-6-19(18)17-22/h1-3,5-10,15,22H,4,11-14,16-17H2
InChIKeyLHZASOLIQCKKQF-UHFFFAOYSA-N
XLogP3.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinoxalin-6-ylmethanone
CID 91836378
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 90652516
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 118777555
1-[4-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 70743799
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
CID 62850573
1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
CID 42531267
(2-methyl-3H-benzimidazol-5-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709274
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone
CID 131928639

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone (CID 70774943) is [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone is O=C(c1ccc2ncccc2c1)N1CCCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone?
The InChIKey is LHZASOLIQCKKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c28-24(21-8-9-23-20(15-21)7-3-10-25-23)27-12-4-11-26(13-14-27)22-16-18-5-1-2-6-19(18)17-22/h1-3,5-10,15,22H,4,11-14,16-17H2.
What are the key properties of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone?
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone has a molecular weight of 371.48 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 70774943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).