6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one

C23H26N4O2 — CID 70903060

IUPAC6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one
SMILESCCN1Cc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc2NC1=O
InChIInChI=1S/C23H26N4O2/c1-2-27-14-17-12-15(8-10-19(17)26-23(27)28)16-9-11-21-20(13-16)25-22(29-21)24-18-6-4-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)(H,26,28)
InChIKeyNZAXBYHCVBGGML-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.61
Rot. Bonds4

About 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one

6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one (PubChem CID 70903060) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one
PubChem CID70903060
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one
SMILESCCN1Cc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc2NC1=O
InChIInChI=1S/C23H26N4O2/c1-2-27-14-17-12-15(8-10-19(17)26-23(27)28)16-9-11-21-20(13-16)25-22(29-21)24-18-6-4-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)(H,26,28)
InChIKeyNZAXBYHCVBGGML-UHFFFAOYSA-N
XLogP5.61
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one with MolForge

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Related Compounds

6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one
CID 70903063
N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine
CID 68656484
5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 45279549
5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 91427328
N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine
CID 45279829
N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 68658294
N-cyclohexyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 58896893
N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
CID 139602311
N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine
CID 68657492
N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine
CID 68658124
N-cyclohexyl-6-nitro-1,3-benzoxazol-2-amine
CID 12711471
N-(3-ethylcyclohexyl)-5-nitro-1,3-benzoxazol-2-amine
CID 79881748

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one (CID 70903060) is 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one is CCN1Cc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc2NC1=O.
What is the InChIKey of 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one?
The InChIKey is NZAXBYHCVBGGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-27-14-17-12-15(8-10-19(17)26-23(27)28)16-9-11-21-20(13-16)25-22(29-21)24-18-6-4-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)(H,26,28).
What are the key properties of 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one?
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one has a molecular weight of 390.49 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 70903060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).