4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide

C21H15ClFN5O — CID 71180244

IUPAC4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
SMILESCNC(=O)c1ccc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc2c1
InChIInChI=1S/C21H15ClFN5O/c1-24-21(29)12-4-6-15-18(9-12)27-19(13-3-2-8-25-11-13)28-20(15)26-14-5-7-17(23)16(22)10-14/h2-11H,1H3,(H,24,29)(H,26,27,28)
InChIKeyPQNDDFAXROMDAZ-UHFFFAOYSA-N
MW407.84 g/mol
LogP4.59
Rot. Bonds4

About 4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide

4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide (PubChem CID 71180244) has the molecular formula C21H15ClFN5O and a molecular weight of 407.84 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
PubChem CID71180244
Molecular FormulaC21H15ClFN5O
Molecular Weight407.84 g/mol
Exact Mass407.09
IUPAC Name4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
SMILESCNC(=O)c1ccc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc2c1
InChIInChI=1S/C21H15ClFN5O/c1-24-21(29)12-4-6-15-18(9-12)27-19(13-3-2-8-25-11-13)28-20(15)26-14-5-7-17(23)16(22)10-14/h2-11H,1H3,(H,24,29)(H,26,27,28)
InChIKeyPQNDDFAXROMDAZ-UHFFFAOYSA-N
XLogP4.59
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide (CID 71180244) is 4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide is CNC(=O)c1ccc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc2c1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide?
The InChIKey is PQNDDFAXROMDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O/c1-24-21(29)12-4-6-15-18(9-12)27-19(13-3-2-8-25-11-13)28-20(15)26-14-5-7-17(23)16(22)10-14/h2-11H,1H3,(H,24,29)(H,26,27,28).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide?
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide has a molecular weight of 407.84 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide is sourced from PubChem (CID 71180244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).