1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C21H26N4O4S — CID 32586377

IUPAC1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccnc(N4CCOCC4)c3)ccc21
InChIInChI=1S/C21H26N4O4S/c1-30(27,28)25-8-2-3-17-14-18(4-5-19(17)25)21(26)23-15-16-6-7-22-20(13-16)24-9-11-29-12-10-24/h4-7,13-14H,2-3,8-12,15H2,1H3,(H,23,26)
InChIKeyNWMUINZMLMKTMN-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.56
Rot. Bonds5

About 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 32586377) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID32586377
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccnc(N4CCOCC4)c3)ccc21
InChIInChI=1S/C21H26N4O4S/c1-30(27,28)25-8-2-3-17-14-18(4-5-19(17)25)21(26)23-15-16-6-7-22-20(13-16)24-9-11-29-12-10-24/h4-7,13-14H,2-3,8-12,15H2,1H3,(H,23,26)
InChIKeyNWMUINZMLMKTMN-UHFFFAOYSA-N
XLogP1.56
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

N-[(3-bromophenyl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78851863
N-[(3-fluoro-4-methylphenyl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25316758
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
1-methylsulfonyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 41311402
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753625
1-methylsulfonyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8894179
3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32584541
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 47050699
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 32586377) is 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccnc(N4CCOCC4)c3)ccc21.
What is the InChIKey of 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is NWMUINZMLMKTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-30(27,28)25-8-2-3-17-14-18(4-5-19(17)25)21(26)23-15-16-6-7-22-20(13-16)24-9-11-29-12-10-24/h4-7,13-14H,2-3,8-12,15H2,1H3,(H,23,26).
What are the key properties of 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 32586377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).