2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one

C23H22N4O2 — CID 44623886

IUPAC2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
SMILESO=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3cc4ccccc4cc3o1)N2
InChIInChI=1S/C23H22N4O2/c28-18-9-5-8-16-20(18)23(10-3-4-11-23)27-21(24-16)26-22-25-17-12-14-6-1-2-7-15(14)13-19(17)29-22/h1-2,6-7,12-13H,3-5,8-11H2,(H2,24,25,26,27)
InChIKeyQRTDJVOIANPFTP-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.67
Rot. Bonds1

About 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one

2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one (PubChem CID 44623886) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one.

Molecular Properties

Compound Name2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
PubChem CID44623886
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
SMILESO=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3cc4ccccc4cc3o1)N2
InChIInChI=1S/C23H22N4O2/c28-18-9-5-8-16-20(18)23(10-3-4-11-23)27-21(24-16)26-22-25-17-12-14-6-1-2-7-15(14)13-19(17)29-22/h1-2,6-7,12-13H,3-5,8-11H2,(H2,24,25,26,27)
InChIKeyQRTDJVOIANPFTP-UHFFFAOYSA-N
XLogP4.67
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one with MolForge

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Related Compounds

2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
CID 44623882
2-(1,3-benzoxazol-2-ylamino)-7-phenylspiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
CID 44607600
2-(1,3-benzoxazol-2-ylamino)-1'-benzyl-7,7-dimethylspiro[6,8-dihydro-1H-quinazoline-4,4'-piperidine]-5-one
CID 4886849
2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926019
2-(1,3-benzoxazol-2-ylamino)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926030
3-(1,3-benzoxazol-2-ylmethyl)spiro[4,5,6,7-tetrahydroisoquinoline-1,1'-cyclobutane]-8-one
CID 157298335
4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 71660776
2-(1,3-benzoxazol-2-ylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135436391
6-(benzo[f][1,3]benzoxazol-2-ylamino)-3'-hydroxy-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 163681251
2-(1,3-benzoxazol-2-ylamino)-10-(2-iodophenyl)-9-methylidene-1,4,5,6,7,10-hexahydro-1,3-diazecin-8-one
CID 89473517
2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one
CID 123242836
7-(1,3-benzoxazol-2-ylamino)-9,9-dimethyl-N-(7-methyl-6,7-dihydro-1,2-benzoxazol-3-yl)-6,8-diazaspiro[4.5]dec-6-ene-10-carboxamide
CID 123701568

Frequently Asked Questions

What is the IUPAC name of 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one?
The IUPAC name of 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one (CID 44623886) is 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one.
What is the SMILES notation for 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one?
The canonical SMILES for 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one is O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3cc4ccccc4cc3o1)N2.
What is the InChIKey of 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one?
The InChIKey is QRTDJVOIANPFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-18-9-5-8-16-20(18)23(10-3-4-11-23)27-21(24-16)26-22-25-17-12-14-6-1-2-7-15(14)13-19(17)29-22/h1-2,6-7,12-13H,3-5,8-11H2,(H2,24,25,26,27).
What are the key properties of 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one?
2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one has a molecular weight of 386.46 g/mol, XLogP of 4.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one is sourced from PubChem (CID 44623886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).