4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one

C14H12ClF2N3O — CID 156548085

IUPAC4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one
SMILESCc1nc(Cl)c2cc3c(cc2n1)N(C)C(=O)C3(CF)CF
InChIInChI=1S/C14H12ClF2N3O/c1-7-18-10-4-11-9(3-8(10)12(15)19-7)14(5-16,6-17)13(21)20(11)2/h3-4H,5-6H2,1-2H3
InChIKeyJFZBBIVRJJHVJL-UHFFFAOYSA-N
MW311.72 g/mol
LogP2.74
Rot. Bonds2

About 4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one

4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one (PubChem CID 156548085) has the molecular formula C14H12ClF2N3O and a molecular weight of 311.72 g/mol. Its IUPAC name is 4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one.

Molecular Properties

Compound Name4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one
PubChem CID156548085
Molecular FormulaC14H12ClF2N3O
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC Name4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one
SMILESCc1nc(Cl)c2cc3c(cc2n1)N(C)C(=O)C3(CF)CF
InChIInChI=1S/C14H12ClF2N3O/c1-7-18-10-4-11-9(3-8(10)12(15)19-7)14(5-16,6-17)13(21)20(11)2/h3-4H,5-6H2,1-2H3
InChIKeyJFZBBIVRJJHVJL-UHFFFAOYSA-N
XLogP2.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one
CID 156537336
methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate
CID 156537420
4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one
CID 156547674
N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine
CID 156548171
6-butyl-4-chloro-2,8,8-trimethyl-7-methylidenepyrrolo[2,3-g]quinazoline
CID 156548073
4-chloro-2,6,8-trimethyl-7-methylidene-8,9-dihydropyrido[2,3-g]quinazoline
CID 156548054
4-[[1-iodo-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-2,6,6,8-tetramethylpyrrolo[3,2-g]quinazolin-7-one
CID 156548227
8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 169194663
8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one
CID 169194624
5-chloro-3-methoxy-1,3,8-trimethylpyrrolo[2,3-g]phthalazin-2-one
CID 169194583
4-chloro-2-methylquinazolin-6-amine
CID 124908084
4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methoxy-2,6,8-trimethylpyrrolo[3,2-g]quinazolin-7-one
CID 156537241

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one?
The IUPAC name of 4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one (CID 156548085) is 4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one.
What is the SMILES notation for 4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one?
The canonical SMILES for 4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one is Cc1nc(Cl)c2cc3c(cc2n1)N(C)C(=O)C3(CF)CF.
What is the InChIKey of 4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one?
The InChIKey is JFZBBIVRJJHVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3O/c1-7-18-10-4-11-9(3-8(10)12(15)19-7)14(5-16,6-17)13(21)20(11)2/h3-4H,5-6H2,1-2H3.
What are the key properties of 4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one?
4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one has a molecular weight of 311.72 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one is sourced from PubChem (CID 156548085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).