4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline

C18H18ClFN2O3 — CID 130354607

IUPAC4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline
SMILESC=C1Nc2cc(OC)c(OC)c(OC)c2C(c2cc(Cl)ccc2F)N1
InChIInChI=1S/C18H18ClFN2O3/c1-9-21-13-8-14(23-2)17(24-3)18(25-4)15(13)16(22-9)11-7-10(19)5-6-12(11)20/h5-8,16,21-22H,1H2,2-4H3
InChIKeyKVTDEEXGDXNGSO-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.08
Rot. Bonds4

About 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline

4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline (PubChem CID 130354607) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline
PubChem CID130354607
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline
SMILESC=C1Nc2cc(OC)c(OC)c(OC)c2C(c2cc(Cl)ccc2F)N1
InChIInChI=1S/C18H18ClFN2O3/c1-9-21-13-8-14(23-2)17(24-3)18(25-4)15(13)16(22-9)11-7-10(19)5-6-12(11)20/h5-8,16,21-22H,1H2,2-4H3
InChIKeyKVTDEEXGDXNGSO-UHFFFAOYSA-N
XLogP4.08
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline 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

4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline
CID 130354612
4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 130383098
4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17285543
4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-1-methyl-2-methylidene-3,4-dihydroquinoline
CID 130354614
1-(5-chloro-2-fluorophenyl)-2-[2-(dimethylamino)ethyl]-6,7,8-trimethoxy-1,4-dihydroisoquinolin-3-one
CID 146854970
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
2-(5-chloro-2-methoxyphenyl)oxirane
CID 82075180
2-[(8S)-5-chloro-13,14,15-trimethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]acetamide
CID 139929146
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
6-(2-chloro-6-fluorophenyl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 3681858
(1S,9S)-4-chloro-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 2054136
ethyl (4S)-4-(5-chloro-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 893219

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline (CID 130354607) is 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline is C=C1Nc2cc(OC)c(OC)c(OC)c2C(c2cc(Cl)ccc2F)N1.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline?
The InChIKey is KVTDEEXGDXNGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-9-21-13-8-14(23-2)17(24-3)18(25-4)15(13)16(22-9)11-7-10(19)5-6-12(11)20/h5-8,16,21-22H,1H2,2-4H3.
What are the key properties of 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline?
4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline has a molecular weight of 364.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline is sourced from PubChem (CID 130354607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).