7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione

C21H15ClFN3O3 — CID 118192461

IUPAC7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione
SMILESCc1ccc(OCc2ncccc2F)cc1-n1c(=O)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C21H15ClFN3O3/c1-12-4-6-14(29-11-18-16(23)3-2-8-24-18)10-19(12)26-20(27)15-7-5-13(22)9-17(15)25-21(26)28/h2-10H,11H2,1H3,(H,25,28)
InChIKeyJJUZZXPGOPCUSC-UHFFFAOYSA-N
MW411.82 g/mol
LogP3.75
Rot. Bonds4

About 7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione

7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione (PubChem CID 118192461) has the molecular formula C21H15ClFN3O3 and a molecular weight of 411.82 g/mol. Its IUPAC name is 7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione
PubChem CID118192461
Molecular FormulaC21H15ClFN3O3
Molecular Weight411.82 g/mol
Exact Mass411.08
IUPAC Name7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione
SMILESCc1ccc(OCc2ncccc2F)cc1-n1c(=O)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C21H15ClFN3O3/c1-12-4-6-14(29-11-18-16(23)3-2-8-24-18)10-19(12)26-20(27)15-7-5-13(22)9-17(15)25-21(26)28/h2-10H,11H2,1H3,(H,25,28)
InChIKeyJJUZZXPGOPCUSC-UHFFFAOYSA-N
XLogP3.75
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione (CID 118192461) is 7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione is Cc1ccc(OCc2ncccc2F)cc1-n1c(=O)[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione?
The InChIKey is JJUZZXPGOPCUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O3/c1-12-4-6-14(29-11-18-16(23)3-2-8-24-18)10-19(12)26-20(27)15-7-5-13(22)9-17(15)25-21(26)28/h2-10H,11H2,1H3,(H,25,28).
What are the key properties of 7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione?
7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione has a molecular weight of 411.82 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 118192461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).