6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one

C18H17N3O2 — CID 166667314

IUPAC6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one
SMILESCC1(C)Cc2cc(Nc3nc4ccccc4o3)ccc2NC1=O
InChIInChI=1S/C18H17N3O2/c1-18(2)10-11-9-12(7-8-13(11)20-16(18)22)19-17-21-14-5-3-4-6-15(14)23-17/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKQHRSXIKUIUZFG-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.09
Rot. Bonds2

About 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one

6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one (PubChem CID 166667314) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one
PubChem CID166667314
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one
SMILESCC1(C)Cc2cc(Nc3nc4ccccc4o3)ccc2NC1=O
InChIInChI=1S/C18H17N3O2/c1-18(2)10-11-9-12(7-8-13(11)20-16(18)22)19-17-21-14-5-3-4-6-15(14)23-17/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKQHRSXIKUIUZFG-UHFFFAOYSA-N
XLogP4.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one with MolForge

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Related Compounds

6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one
CID 166667251
(5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 156587752
3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one
CID 166091509
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
CID 53419153
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
N-[4-[[4-(1,3-benzoxazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzoxazol-2-amine
CID 14688880
ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 90886573
N-(1,3-benzoxazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75795837
3,3-dimethyl-6-[(2-oxo-3-phenylpyrrolidin-1-yl)amino]-1,4-dihydroquinolin-2-one
CID 170261812
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-amine
CID 12898686
2-anilino-1,3-benzoxazol-6-ol;ethane
CID 91286009
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one (CID 166667314) is 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one is CC1(C)Cc2cc(Nc3nc4ccccc4o3)ccc2NC1=O.
What is the InChIKey of 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The InChIKey is KQHRSXIKUIUZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-18(2)10-11-9-12(7-8-13(11)20-16(18)22)19-17-21-14-5-3-4-6-15(14)23-17/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one?
6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one has a molecular weight of 307.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 166667314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).