N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide

C18H16ClN3OS — CID 1004672

IUPACN-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide
SMILESCCC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C18H16ClN3OS/c1-3-14(16-8-9-17(19)24-16)21-22-18(23)13-10-11(2)20-15-7-5-4-6-12(13)15/h4-10H,3H2,1-2H3,(H,22,23)
InChIKeyBCJUBNFOVRDPBF-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.80
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide

N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide (PubChem CID 1004672) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide
PubChem CID1004672
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC NameN-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide
SMILESCCC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C18H16ClN3OS/c1-3-14(16-8-9-17(19)24-16)21-22-18(23)13-10-11(2)20-15-7-5-4-6-12(13)15/h4-10H,3H2,1-2H3,(H,22,23)
InChIKeyBCJUBNFOVRDPBF-UHFFFAOYSA-N
XLogP4.80
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)butylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4602945
N-[(E)-1-(5-chlorothiophen-2-yl)butylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6161756
N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6529920
N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide
CID 6534705
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
2-(4-tert-butylphenyl)-N-[1-(5-chlorothiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 4205609
N-[1-(5-bromothiophen-2-yl)propylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 3452259
2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide
CID 92898718
2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide
CID 16553720
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide
CID 6162815
N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 7933434
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide (CID 1004672) is N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide is CCC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide?
The InChIKey is BCJUBNFOVRDPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-3-14(16-8-9-17(19)24-16)21-22-18(23)13-10-11(2)20-15-7-5-4-6-12(13)15/h4-10H,3H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide?
N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide has a molecular weight of 357.87 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 1004672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).