4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide

C23H15Cl2FN4O3 — CID 163301032

IUPAC4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide
SMILESO=C(Nc1cccc2ncn(C3(c4ccccc4F)CC3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1
InChIInChI=1S/C23H15Cl2FN4O3/c24-13-10-17(28-20(25)19(13)31)21(32)29-16-7-3-6-15-18(16)22(33)30(11-27-15)23(8-9-23)12-4-1-2-5-14(12)26/h1-7,10-11,31H,8-9H2,(H,29,32)
InChIKeySIQVMTDPMVXZLR-UHFFFAOYSA-N
MW485.30 g/mol
LogP4.73
Rot. Bonds4

About 4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide

4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide (PubChem CID 163301032) has the molecular formula C23H15Cl2FN4O3 and a molecular weight of 485.30 g/mol. Its IUPAC name is 4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide
PubChem CID163301032
Molecular FormulaC23H15Cl2FN4O3
Molecular Weight485.30 g/mol
Exact Mass484.05
IUPAC Name4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide
SMILESO=C(Nc1cccc2ncn(C3(c4ccccc4F)CC3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1
InChIInChI=1S/C23H15Cl2FN4O3/c24-13-10-17(28-20(25)19(13)31)21(32)29-16-7-3-6-15-18(16)22(33)30(11-27-15)23(8-9-23)12-4-1-2-5-14(12)26/h1-7,10-11,31H,8-9H2,(H,29,32)
InChIKeySIQVMTDPMVXZLR-UHFFFAOYSA-N
XLogP4.73
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.30
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide (CID 163301032) is 4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide is O=C(Nc1cccc2ncn(C3(c4ccccc4F)CC3)c(=O)c12)c1cc(Cl)c(O)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide?
The InChIKey is SIQVMTDPMVXZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2FN4O3/c24-13-10-17(28-20(25)19(13)31)21(32)29-16-7-3-6-15-18(16)22(33)30(11-27-15)23(8-9-23)12-4-1-2-5-14(12)26/h1-7,10-11,31H,8-9H2,(H,29,32).
What are the key properties of 4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide?
4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide has a molecular weight of 485.30 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[3-[1-(2-fluorophenyl)cyclopropyl]-4-oxoquinazolin-5-yl]-5-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 163301032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).