7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide

C19H20N4O3 — CID 126805682

IUPAC7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNC(=O)N1CCCc2ccc(NCc3ccc4c(c3)NC(=O)CO4)cc21
InChIInChI=1S/C19H20N4O3/c20-19(25)23-7-1-2-13-4-5-14(9-16(13)23)21-10-12-3-6-17-15(8-12)22-18(24)11-26-17/h3-6,8-9,21H,1-2,7,10-11H2,(H2,20,25)(H,22,24)
InChIKeySAWMDNVGNSSKOT-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.46
Rot. Bonds3

About 7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide

7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 126805682) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID126805682
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNC(=O)N1CCCc2ccc(NCc3ccc4c(c3)NC(=O)CO4)cc21
InChIInChI=1S/C19H20N4O3/c20-19(25)23-7-1-2-13-4-5-14(9-16(13)23)21-10-12-3-6-17-15(8-12)22-18(24)11-26-17/h3-6,8-9,21H,1-2,7,10-11H2,(H2,20,25)(H,22,24)
InChIKeySAWMDNVGNSSKOT-UHFFFAOYSA-N
XLogP2.46
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 126805682) is 7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide is NC(=O)N1CCCc2ccc(NCc3ccc4c(c3)NC(=O)CO4)cc21.
What is the InChIKey of 7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is SAWMDNVGNSSKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c20-19(25)23-7-1-2-13-4-5-14(9-16(13)23)21-10-12-3-6-17-15(8-12)22-18(24)11-26-17/h3-6,8-9,21H,1-2,7,10-11H2,(H2,20,25)(H,22,24).
What are the key properties of 7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide?
7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 126805682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).