methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate

C20H19ClN2O3 — CID 156831006

IUPACmethyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(NCc3ccc(OC)cc3)c(C)c(Cl)c2c1
InChIInChI=1S/C20H19ClN2O3/c1-12-18(21)16-10-14(20(24)26-3)6-9-17(16)23-19(12)22-11-13-4-7-15(25-2)8-5-13/h4-10H,11H2,1-3H3,(H,22,23)
InChIKeyJWWSYFJWJQJANE-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.60
Rot. Bonds5

About methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate

methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate (PubChem CID 156831006) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate
PubChem CID156831006
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Namemethyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(NCc3ccc(OC)cc3)c(C)c(Cl)c2c1
InChIInChI=1S/C20H19ClN2O3/c1-12-18(21)16-10-14(20(24)26-3)6-9-17(16)23-19(12)22-11-13-4-7-15(25-2)8-5-13/h4-10H,11H2,1-3H3,(H,22,23)
InChIKeyJWWSYFJWJQJANE-UHFFFAOYSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-3-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860294
methyl 4-[(4-methoxyanilino)methyl]benzoate;hydrochloride
CID 141308228
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
ethyl 5-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxylate
CID 78358134
methyl 4-[[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]methyl]benzoate
CID 118916124
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide
CID 123471618
2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid
CID 88922199
3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 66800577
methyl 6-[(4-methoxyphenyl)methylamino]-8-methyl-1,5-naphthyridine-3-carboxylate
CID 166460491
1-(4-chlorophenyl)-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylethanone
CID 4548502
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563668

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate (CID 156831006) is methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate is COC(=O)c1ccc2nc(NCc3ccc(OC)cc3)c(C)c(Cl)c2c1.
What is the InChIKey of methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate?
The InChIKey is JWWSYFJWJQJANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-18(21)16-10-14(20(24)26-3)6-9-17(16)23-19(12)22-11-13-4-7-15(25-2)8-5-13/h4-10H,11H2,1-3H3,(H,22,23).
What are the key properties of methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate?
methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate has a molecular weight of 370.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate is sourced from PubChem (CID 156831006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).