2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one

C17H14FN3O2 — CID 137268379

IUPAC2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NC2CCOc3ccc(F)cc32)nc2ccccc12
InChIInChI=1S/C17H14FN3O2/c18-10-5-6-15-12(9-10)14(7-8-23-15)20-17-19-13-4-2-1-3-11(13)16(22)21-17/h1-6,9,14H,7-8H2,(H2,19,20,21,22)
InChIKeyNVESQOFNTDHCOL-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.00
Rot. Bonds2

About 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one

2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one (PubChem CID 137268379) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one
PubChem CID137268379
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NC2CCOc3ccc(F)cc32)nc2ccccc12
InChIInChI=1S/C17H14FN3O2/c18-10-5-6-15-12(9-10)14(7-8-23-15)20-17-19-13-4-2-1-3-11(13)16(22)21-17/h1-6,9,14H,7-8H2,(H2,19,20,21,22)
InChIKeyNVESQOFNTDHCOL-UHFFFAOYSA-N
XLogP3.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]-3H-quinazolin-4-one
CID 136581117
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108777152
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108774344
5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one
CID 133295746
N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3-benzoxazol-2-amine
CID 94497182
1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
CID 110750884
N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711278
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135739396
4-chloro-5-[[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]-2-phenylpyridazin-3-one
CID 95068270
2-[(1S)-1-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-6-oxo-1H-pyrimidin-4-yl]ethyl]phthalazin-1-one
CID 136820117
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide
CID 110751350
6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine
CID 133295805

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one (CID 137268379) is 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one is O=c1[nH]c(NC2CCOc3ccc(F)cc32)nc2ccccc12.
What is the InChIKey of 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one?
The InChIKey is NVESQOFNTDHCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-10-5-6-15-12(9-10)14(7-8-23-15)20-17-19-13-4-2-1-3-11(13)16(22)21-17/h1-6,9,14H,7-8H2,(H2,19,20,21,22).
What are the key properties of 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one?
2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one has a molecular weight of 311.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 137268379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).