1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C25H31N3O3 — CID 163498048

IUPAC1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N3CCOCC3)cc2C(C2(Cc3ccccn3)CC2)C(C)[C@@H]1O
InChIInChI=1S/C25H31N3O3/c1-17-23(25(8-9-25)16-19-5-3-4-10-26-19)21-15-20(27-11-13-31-14-12-27)6-7-22(21)28(18(2)29)24(17)30/h3-7,10,15,17,23-24,30H,8-9,11-14,16H2,1-2H3/t17?,23?,24-/m0/s1
InChIKeyCSJZCVPQMWZXDJ-KGMOOGKZSA-N
MW421.54 g/mol
LogP3.35
Rot. Bonds4

About 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 163498048) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID163498048
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N3CCOCC3)cc2C(C2(Cc3ccccn3)CC2)C(C)[C@@H]1O
InChIInChI=1S/C25H31N3O3/c1-17-23(25(8-9-25)16-19-5-3-4-10-26-19)21-15-20(27-11-13-31-14-12-27)6-7-22(21)28(18(2)29)24(17)30/h3-7,10,15,17,23-24,30H,8-9,11-14,16H2,1-2H3/t17?,23?,24-/m0/s1
InChIKeyCSJZCVPQMWZXDJ-KGMOOGKZSA-N
XLogP3.35
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 135265109
1-[(2S,3R,4R)-2-ethyl-3-methyl-4-[(5-methylpyrazin-2-yl)amino]-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 85472797
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731265
2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78863745
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212686
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
1-[(6S)-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495173
1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone
CID 70680607
N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 163498048) is 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(N3CCOCC3)cc2C(C2(Cc3ccccn3)CC2)C(C)[C@@H]1O.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is CSJZCVPQMWZXDJ-KGMOOGKZSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17-23(25(8-9-25)16-19-5-3-4-10-26-19)21-15-20(27-11-13-31-14-12-27)6-7-22(21)28(18(2)29)24(17)30/h3-7,10,15,17,23-24,30H,8-9,11-14,16H2,1-2H3/t17?,23?,24-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 421.54 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 163498048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).