7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one

C15H19N3O2 — CID 61479289

IUPAC7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one
SMILESNc1cc2c(cc1NC(C1CC1)C1CC1)NC(=O)CO2
InChIInChI=1S/C15H19N3O2/c16-10-5-13-12(17-14(19)7-20-13)6-11(10)18-15(8-1-2-8)9-3-4-9/h5-6,8-9,15,18H,1-4,7,16H2,(H,17,19)
InChIKeyLFUVXSLUONQAMG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.20
Rot. Bonds4

About 7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one

7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one (PubChem CID 61479289) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one
PubChem CID61479289
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one
SMILESNc1cc2c(cc1NC(C1CC1)C1CC1)NC(=O)CO2
InChIInChI=1S/C15H19N3O2/c16-10-5-13-12(17-14(19)7-20-13)6-11(10)18-15(8-1-2-8)9-3-4-9/h5-6,8-9,15,18H,1-4,7,16H2,(H,17,19)
InChIKeyLFUVXSLUONQAMG-UHFFFAOYSA-N
XLogP2.20
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-6-[(2-cyclopropyl-2-hydroxyethyl)amino]-4H-1,4-benzoxazin-3-one
CID 63294887
7-amino-6-(butan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43479169
N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)methanesulfonamide
CID 43550407
7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one
CID 43479176
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-methylbutanamide
CID 106344012
7-amino-6-(1-pyridin-4-ylethylamino)-4H-1,4-benzoxazin-3-one
CID 43523996
7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one
CID 83005602
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106773
7-amino-6-[(3-ethyl-2-methylcyclopentyl)amino]-4H-1,4-benzoxazin-3-one
CID 64921513
7-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4H-1,4-benzoxazin-3-one
CID 106155204
7-amino-6-(3-hydroxybutylamino)-4H-1,4-benzoxazin-3-one
CID 64926874
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one (CID 61479289) is 7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one is Nc1cc2c(cc1NC(C1CC1)C1CC1)NC(=O)CO2.
What is the InChIKey of 7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one?
The InChIKey is LFUVXSLUONQAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-5-13-12(17-14(19)7-20-13)6-11(10)18-15(8-1-2-8)9-3-4-9/h5-6,8-9,15,18H,1-4,7,16H2,(H,17,19).
What are the key properties of 7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one?
7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 61479289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).