[4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone

C20H20ClN3O2 — CID 131913262

IUPAC[4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCN(Cc2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H20ClN3O2/c21-16-5-7-18-15(13-16)4-6-17(22-18)14-23-8-2-9-24(11-10-23)20(25)19-3-1-12-26-19/h1,3-7,12-13H,2,8-11,14H2
InChIKeyQZTNLXXQEREUGW-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.83
Rot. Bonds3

About [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone

[4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone (PubChem CID 131913262) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
PubChem CID131913262
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name[4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCN(Cc2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H20ClN3O2/c21-16-5-7-18-15(13-16)4-6-17(22-18)14-23-8-2-9-24(11-10-23)20(25)19-3-1-12-26-19/h1,3-7,12-13H,2,8-11,14H2
InChIKeyQZTNLXXQEREUGW-UHFFFAOYSA-N
XLogP3.83
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[4-[(5-chloro-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 24737161
6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135783142
furan-2-yl-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56810704
[4-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 126464600
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 43251904
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 43043371
(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46536259
furan-2-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750017
[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 131947699
methyl 4-(3-chlorophenyl)-6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920947
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42692102

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone (CID 131913262) is [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCCN(Cc2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The InChIKey is QZTNLXXQEREUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-16-5-7-18-15(13-16)4-6-17(22-18)14-23-8-2-9-24(11-10-23)20(25)19-3-1-12-26-19/h1,3-7,12-13H,2,8-11,14H2.
What are the key properties of [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
[4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone has a molecular weight of 369.85 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 131913262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).