11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C20H19FN4O2 — CID 163087194

IUPAC11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESO=c1[nH]c(CN2CC3CC(C2)c2cccc(=O)n2C3)nc2ccc(F)cc12
InChIInChI=1S/C20H19FN4O2/c21-14-4-5-16-15(7-14)20(27)23-18(22-16)11-24-8-12-6-13(10-24)17-2-1-3-19(26)25(17)9-12/h1-5,7,12-13H,6,8-11H2,(H,22,23,27)
InChIKeyQASGZRYGXBADHW-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.84
Rot. Bonds2

About 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 163087194) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID163087194
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESO=c1[nH]c(CN2CC3CC(C2)c2cccc(=O)n2C3)nc2ccc(F)cc12
InChIInChI=1S/C20H19FN4O2/c21-14-4-5-16-15(7-14)20(27)23-18(22-16)11-24-8-12-6-13(10-24)17-2-1-3-19(26)25(17)9-12/h1-5,7,12-13H,6,8-11H2,(H,22,23,27)
InChIKeyQASGZRYGXBADHW-UHFFFAOYSA-N
XLogP1.84
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one with MolForge

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Related Compounds

2-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136743750
11-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171157233
(1R,9S)-11-[(4-ethylphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 23911018
(1S,9R)-11-[(2-chloro-6-fluorophenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 1353805
2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetic acid
CID 98202622
11-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 3752595
(1S,9S)-11-[(4-bromophenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98117841
11-[[4-(trifluoromethyl)phenyl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 146077830
11-[(4-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 2857346
11-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163087170
3-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]propanoic acid
CID 98107825
ethyl 5-fluoro-3-[[2-[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 131664656

Frequently Asked Questions

What is the IUPAC name of 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 163087194) is 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is O=c1[nH]c(CN2CC3CC(C2)c2cccc(=O)n2C3)nc2ccc(F)cc12.
What is the InChIKey of 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is QASGZRYGXBADHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-14-4-5-16-15(7-14)20(27)23-18(22-16)11-24-8-12-6-13(10-24)17-2-1-3-19(26)25(17)9-12/h1-5,7,12-13H,6,8-11H2,(H,22,23,27).
What are the key properties of 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 366.40 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 163087194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).