2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide

C26H30N4O2 — CID 155948335

IUPAC2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide
SMILESCN1CCC2(CC1)CC(NC(=O)c1cc(N(C)C)nc3ccccc13)c1ccccc1O2
InChIInChI=1S/C26H30N4O2/c1-29(2)24-16-20(18-8-4-6-10-21(18)27-24)25(31)28-22-17-26(12-14-30(3)15-13-26)32-23-11-7-5-9-19(22)23/h4-11,16,22H,12-15,17H2,1-3H3,(H,28,31)
InChIKeyBCKWTTQUMQGFNZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.02
Rot. Bonds3

About 2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide

2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide (PubChem CID 155948335) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide
PubChem CID155948335
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide
SMILESCN1CCC2(CC1)CC(NC(=O)c1cc(N(C)C)nc3ccccc13)c1ccccc1O2
InChIInChI=1S/C26H30N4O2/c1-29(2)24-16-20(18-8-4-6-10-21(18)27-24)25(31)28-22-17-26(12-14-30(3)15-13-26)32-23-11-7-5-9-19(22)23/h4-11,16,22H,12-15,17H2,1-3H3,(H,28,31)
InChIKeyBCKWTTQUMQGFNZ-UHFFFAOYSA-N
XLogP4.02
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
CID 155945168
1-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-phenylpyrazole-4-carboxamide
CID 155946672
6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide
CID 166381221
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112841011
3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 155945166
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 124628933
N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-nitro-1H-indazole-3-carboxamide
CID 112820329
4-(2-acetamidoethyl)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)benzamide
CID 47014219
5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide
CID 40863715
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide (CID 155948335) is 2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide is CN1CCC2(CC1)CC(NC(=O)c1cc(N(C)C)nc3ccccc13)c1ccccc1O2.
What is the InChIKey of 2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide?
The InChIKey is BCKWTTQUMQGFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-29(2)24-16-20(18-8-4-6-10-21(18)27-24)25(31)28-22-17-26(12-14-30(3)15-13-26)32-23-11-7-5-9-19(22)23/h4-11,16,22H,12-15,17H2,1-3H3,(H,28,31).
What are the key properties of 2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide?
2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 155948335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).