6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide

C24H26N4O2 — CID 166381221

IUPAC6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide
SMILESCc1ccc2ncnc(C(=O)NC3CC4(CCN(C)CC4)Oc4ccccc43)c2c1
InChIInChI=1S/C24H26N4O2/c1-16-7-8-19-18(13-16)22(26-15-25-19)23(29)27-20-14-24(9-11-28(2)12-10-24)30-21-6-4-3-5-17(20)21/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,27,29)
InChIKeyKHZXGHFNVOODRE-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.66
Rot. Bonds2

About 6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide

6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide (PubChem CID 166381221) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide
PubChem CID166381221
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide
SMILESCc1ccc2ncnc(C(=O)NC3CC4(CCN(C)CC4)Oc4ccccc43)c2c1
InChIInChI=1S/C24H26N4O2/c1-16-7-8-19-18(13-16)22(26-15-25-19)23(29)27-20-14-24(9-11-28(2)12-10-24)30-21-6-4-3-5-17(20)21/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,27,29)
InChIKeyKHZXGHFNVOODRE-UHFFFAOYSA-N
XLogP3.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
CID 155945168
2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide
CID 155948335
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)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 42916523
N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-nitro-1H-indazole-3-carboxamide
CID 112820329
5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide
CID 40863715
1-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-phenylpyrazole-4-carboxamide
CID 155946672
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
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
4-(2-acetamidoethyl)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)benzamide
CID 47014219
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 6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide?
The IUPAC name of 6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide (CID 166381221) is 6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide is Cc1ccc2ncnc(C(=O)NC3CC4(CCN(C)CC4)Oc4ccccc43)c2c1.
What is the InChIKey of 6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide?
The InChIKey is KHZXGHFNVOODRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-7-8-19-18(13-16)22(26-15-25-19)23(29)27-20-14-24(9-11-28(2)12-10-24)30-21-6-4-3-5-17(20)21/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,27,29).
What are the key properties of 6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide?
6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 166381221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).