methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate

C19H20N2O3 — CID 129145240

IUPACmethyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(C)=O)nc1
InChIInChI=1S/C19H20N2O3/c1-12-4-5-15-10-14(7-9-18(15)21(12)13(2)22)17-8-6-16(11-20-17)19(23)24-3/h6-12H,4-5H2,1-3H3/t12-/m0/s1
InChIKeyKCRPOWIVIYSUCQ-LBPRGKRZSA-N
MW324.38 g/mol
LogP3.22
Rot. Bonds2

About methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate

methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate (PubChem CID 129145240) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
PubChem CID129145240
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(C)=O)nc1
InChIInChI=1S/C19H20N2O3/c1-12-4-5-15-10-14(7-9-18(15)21(12)13(2)22)17-8-6-16(11-20-17)19(23)24-3/h6-12H,4-5H2,1-3H3/t12-/m0/s1
InChIKeyKCRPOWIVIYSUCQ-LBPRGKRZSA-N
XLogP3.22
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[6-(4-hydroperoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123143174
5-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-(1,3-dihydroxypropan-2-yl)pyridine-2-carboxamide
CID 129145250
1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71291078
1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 162374357
ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
CID 135259712
methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate
CID 164884792
1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 162374448
tert-butyl N-[2-[[2-[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetyl]amino]ethyl]carbamate
CID 129145057
1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 86709433
ethane;1-[(2S)-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;(Z)-pent-2-en-2-amine
CID 144853632
methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate
CID 119073100
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate (CID 129145240) is methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(C)=O)nc1.
What is the InChIKey of methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate?
The InChIKey is KCRPOWIVIYSUCQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-4-5-15-10-14(7-9-18(15)21(12)13(2)22)17-8-6-16(11-20-17)19(23)24-3/h6-12H,4-5H2,1-3H3/t12-/m0/s1.
What are the key properties of methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate?
methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate is sourced from PubChem (CID 129145240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).