6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide

C20H20F2N4O3 — CID 42875577

IUPAC6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(F)c(F)cc2N3)cc1
InChIInChI=1S/C20H20F2N4O3/c1-29-13-4-2-12(3-5-13)23-19(28)26-8-6-20(7-9-26)24-17-11-16(22)15(21)10-14(17)18(27)25-20/h2-5,10-11,24H,6-9H2,1H3,(H,23,28)(H,25,27)
InChIKeyKILGMCFQVNHFSB-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.15
Rot. Bonds2

About 6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide

6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 42875577) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID42875577
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(F)c(F)cc2N3)cc1
InChIInChI=1S/C20H20F2N4O3/c1-29-13-4-2-12(3-5-13)23-19(28)26-8-6-20(7-9-26)24-17-11-16(22)15(21)10-14(17)18(27)25-20/h2-5,10-11,24H,6-9H2,1H3,(H,23,28)(H,25,27)
InChIKeyKILGMCFQVNHFSB-UHFFFAOYSA-N
XLogP3.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-difluoro-N-(2-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875576
N-(2,4-dimethylphenyl)-6,7-difluoro-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46077885
N-(4-methoxyphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169562
7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46169529
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 169490460
6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077822
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490459
7-chloro-1'-(3,5-dimethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875425
6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875567
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide (CID 42875577) is 6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide is COc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(F)c(F)cc2N3)cc1.
What is the InChIKey of 6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is KILGMCFQVNHFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-29-13-4-2-12(3-5-13)23-19(28)26-8-6-20(7-9-26)24-17-11-16(22)15(21)10-14(17)18(27)25-20/h2-5,10-11,24H,6-9H2,1H3,(H,23,28)(H,25,27).
What are the key properties of 6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 42875577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).