N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide

C20H17ClN2O2 — CID 60571804

IUPACN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCOc3c(Cl)cccc32)c2ccccc2n1
InChIInChI=1S/C20H17ClN2O2/c1-12-11-15(13-5-2-3-8-17(13)22-12)20(24)23-18-9-10-25-19-14(18)6-4-7-16(19)21/h2-8,11,18H,9-10H2,1H3,(H,23,24)
InChIKeyBICIKAKRPAKFGU-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.45
Rot. Bonds2

About N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide (PubChem CID 60571804) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide
PubChem CID60571804
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCOc3c(Cl)cccc32)c2ccccc2n1
InChIInChI=1S/C20H17ClN2O2/c1-12-11-15(13-5-2-3-8-17(13)22-12)20(24)23-18-9-10-25-19-14(18)6-4-7-16(19)21/h2-8,11,18H,9-10H2,1H3,(H,23,24)
InChIKeyBICIKAKRPAKFGU-UHFFFAOYSA-N
XLogP4.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(8-Chloro-3-methylquinolin-4-yl)phenoxy]-N-ethylbenzamide
CID 44472998
Biarylether amide quinoline, 4k
CID 44472999
Biarylether amide quinoline, 4l
CID 44473000
3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide
CID 834663
N-cyclohexyl-2-isopropoxy-4-quinolinecarboxamide
CID 891858
2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide
CID 947633
2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 949688
N-(2-methoxybenzyl)-2-methylquinoline-4-carboxamide
CID 2713353
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide
CID 3914317
2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 24683819
3-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1yl}-N-[(S)-1-phenyl-ethyl]-benzamide
CID 10369424
3-[2-(dimethylamino)ethoxy]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10623566

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide (CID 60571804) is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC2CCOc3c(Cl)cccc32)c2ccccc2n1.
What is the InChIKey of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is BICIKAKRPAKFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-12-11-15(13-5-2-3-8-17(13)22-12)20(24)23-18-9-10-25-19-14(18)6-4-7-16(19)21/h2-8,11,18H,9-10H2,1H3,(H,23,24).
What are the key properties of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide?
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 60571804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).