[4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H18ClN3OS — CID 19494531

IUPAC[4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cc(Cn2cc(Cl)cn2)cs1
InChIInChI=1S/C19H18ClN3OS/c1-13-4-5-17-15(7-13)3-2-6-23(17)19(24)18-8-14(12-25-18)10-22-11-16(20)9-21-22/h4-5,7-9,11-12H,2-3,6,10H2,1H3
InChIKeyUQYLFVQIGRTKNG-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.55
Rot. Bonds3

About [4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 19494531) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is [4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID19494531
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name[4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cc(Cn2cc(Cl)cn2)cs1
InChIInChI=1S/C19H18ClN3OS/c1-13-4-5-17-15(7-13)3-2-6-23(17)19(24)18-8-14(12-25-18)10-22-11-16(20)9-21-22/h4-5,7-9,11-12H,2-3,6,10H2,1H3
InChIKeyUQYLFVQIGRTKNG-UHFFFAOYSA-N
XLogP4.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanone
CID 19496839
[4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19494561
[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19488632
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[(4-nitrophenoxy)methyl]thiophen-2-yl]methanone
CID 19500836
[4-(1,3-benzodioxol-5-yloxymethyl)thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19484408
(4-chloro-6-methyl-3-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81228751
4-[(4-chloropyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19490695
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471777
4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19490676
(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 99716081
(2,5-dimethylfuran-3-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 27212095

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 19494531) is [4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1cc(Cn2cc(Cl)cn2)cs1.
What is the InChIKey of [4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is UQYLFVQIGRTKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-13-4-5-17-15(7-13)3-2-6-23(17)19(24)18-8-14(12-25-18)10-22-11-16(20)9-21-22/h4-5,7-9,11-12H,2-3,6,10H2,1H3.
What are the key properties of [4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 371.89 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 19494531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).