6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one

C19H18ClN3O3 — CID 71897217

IUPAC6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(NCC(=O)N3CCCc4ccccc43)c(Cl)cc2N1
InChIInChI=1S/C19H18ClN3O3/c20-13-8-15-17(26-11-18(24)22-15)9-14(13)21-10-19(25)23-7-3-5-12-4-1-2-6-16(12)23/h1-2,4,6,8-9,21H,3,5,7,10-11H2,(H,22,24)
InChIKeyQBIQMDOAHPKUGQ-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.06
Rot. Bonds3

About 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one

6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one (PubChem CID 71897217) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one
PubChem CID71897217
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(NCC(=O)N3CCCc4ccccc43)c(Cl)cc2N1
InChIInChI=1S/C19H18ClN3O3/c20-13-8-15-17(26-11-18(24)22-15)9-14(13)21-10-19(25)23-7-3-5-12-4-1-2-6-16(12)23/h1-2,4,6,8-9,21H,3,5,7,10-11H2,(H,22,24)
InChIKeyQBIQMDOAHPKUGQ-UHFFFAOYSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 71886262
2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 33017501
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
6-chloro-7-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4H-1,4-benzoxazin-3-one
CID 81399867
6-chloro-7-[(2S)-2-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 93065712
7-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 46288662
5-chloro-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 133285965
2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007328
2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one
CID 133273149
7-[(2-bromophenyl)methylamino]-6-chloro-4H-1,4-benzoxazin-3-one
CID 43692888
6-chloro-7-[[2-(trifluoromethyl)phenyl]methylamino]-4H-1,4-benzoxazin-3-one
CID 51114030

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one (CID 71897217) is 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one is O=C1COc2cc(NCC(=O)N3CCCc4ccccc43)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one?
The InChIKey is QBIQMDOAHPKUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-13-8-15-17(26-11-18(24)22-15)9-14(13)21-10-19(25)23-7-3-5-12-4-1-2-6-16(12)23/h1-2,4,6,8-9,21H,3,5,7,10-11H2,(H,22,24).
What are the key properties of 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one?
6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one has a molecular weight of 371.82 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 71897217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).