6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one

Name: 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₄ClFN₂O₃ — CID 153119130

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one

SMILESCOc1cccc(CCC(=O)c2nc3ccc(Cl)c(F)c3c(=O)[nH]2)c1

InChIInChI=1S/C18H14ClFN2O3/c1-25-11-4-2-3-10(9-11)5-8-14(23)17-21-13-7-6-12(19)16(20)15(13)18(24)22-17/h2-4,6-7,9H,5,8H2,1H3,(H,21,22,24)

InChIKeyVUMPEXBCTBOBNX-UHFFFAOYSA-N

MW360.77 g/mol

LogP3.54

Rot. Bonds5

About 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one

6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one (PubChem CID 153119130) has the molecular formula C₁₈H₁₄ClFN₂O₃ and a molecular weight of 360.77 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name	6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one
PubChem CID	153119130
Molecular Formula	C₁₈H₁₄ClFN₂O₃
Molecular Weight	360.77 g/mol
Exact Mass	360.07
IUPAC Name	6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one
SMILES	COc1cccc(CCC(=O)c2nc3ccc(Cl)c(F)c3c(=O)[nH]2)c1
InChI	InChI=1S/C18H14ClFN2O3/c1-25-11-4-2-3-10(9-11)5-8-14(23)17-21-13-7-6-12(19)16(20)15(13)18(24)22-17/h2-4,6-7,9H,5,8H2,1H3,(H,21,22,24)
InChIKey	VUMPEXBCTBOBNX-UHFFFAOYSA-N
XLogP	3.54
TPSA	72.05 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.77
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one?

The IUPAC name of 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one (CID 153119130) is 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one.

What is the SMILES notation for 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one?

The canonical SMILES for 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one is COc1cccc(CCC(=O)c2nc3ccc(Cl)c(F)c3c(=O)[nH]2)c1.

What is the InChIKey of 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one?

The InChIKey is VUMPEXBCTBOBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-25-11-4-2-3-10(9-11)5-8-14(23)17-21-13-7-6-12(19)16(20)15(13)18(24)22-17/h2-4,6-7,9H,5,8H2,1H3,(H,21,22,24).

What are the key properties of 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one?

6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one has a molecular weight of 360.77 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one is sourced from PubChem (CID 153119130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 153119130 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.