7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one

C13H14BrFN2O — CID 137298042

IUPAC7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one
SMILESCCCCC(F)c1nc2cc(Br)ccc2c(=O)[nH]1
InChIInChI=1S/C13H14BrFN2O/c1-2-3-4-10(15)12-16-11-7-8(14)5-6-9(11)13(18)17-12/h5-7,10H,2-4H2,1H3,(H,16,17,18)
InChIKeyINUSFMCLRNXLOP-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.89
Rot. Bonds4

About 7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one

7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one (PubChem CID 137298042) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is 7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one
PubChem CID137298042
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one
SMILESCCCCC(F)c1nc2cc(Br)ccc2c(=O)[nH]1
InChIInChI=1S/C13H14BrFN2O/c1-2-3-4-10(15)12-16-11-7-8(14)5-6-9(11)13(18)17-12/h5-7,10H,2-4H2,1H3,(H,16,17,18)
InChIKeyINUSFMCLRNXLOP-UHFFFAOYSA-N
XLogP3.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethyl]-pentylazanium
CID 135622591
7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one
CID 136705321
7-bromo-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-3H-quinazolin-4-one
CID 138712534
ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one
CID 165134582
7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one
CID 136999264
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 5-bromo-2-fluorobenzoate
CID 135612269
3,8-dibromo-6-(2-octyldodecoxy)phenanthridine
CID 132536073
N,N-dibutyl-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
CID 136619437
2-[(1R)-1-(4-bromoanilino)ethyl]-3H-quinazolin-4-one
CID 135839568
ethyl 6-bromo-4-oxo-3H-quinazoline-2-carboxylate
CID 135726667
tert-butyl N-[5-(7-bromo-4-oxo-3H-quinazolin-2-yl)pentyl]carbamate
CID 178029382
4,7-dibromo-2-propylquinazoline
CID 106584096

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one?
The IUPAC name of 7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one (CID 137298042) is 7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one is CCCCC(F)c1nc2cc(Br)ccc2c(=O)[nH]1.
What is the InChIKey of 7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one?
The InChIKey is INUSFMCLRNXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-2-3-4-10(15)12-16-11-7-8(14)5-6-9(11)13(18)17-12/h5-7,10H,2-4H2,1H3,(H,16,17,18).
What are the key properties of 7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one?
7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one has a molecular weight of 313.17 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one is sourced from PubChem (CID 137298042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).