N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide

C24H23ClFN5O2 — CID 159262760

IUPACN-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide
SMILESCOC(C)Cc1ncc2ccc(C(=O)NC(c3ccc(Cl)c(F)c3)c3ccn(C)n3)cc2n1
InChIInChI=1S/C24H23ClFN5O2/c1-14(33-3)10-22-27-13-17-5-4-16(12-21(17)28-22)24(32)29-23(20-8-9-31(2)30-20)15-6-7-18(25)19(26)11-15/h4-9,11-14,23H,10H2,1-3H3,(H,29,32)
InChIKeyKWSGWKRIVNQLAK-UHFFFAOYSA-N
MW467.93 g/mol
LogP4.25
Rot. Bonds7

About N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide

N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide (PubChem CID 159262760) has the molecular formula C24H23ClFN5O2 and a molecular weight of 467.93 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide
PubChem CID159262760
Molecular FormulaC24H23ClFN5O2
Molecular Weight467.93 g/mol
Exact Mass467.15
IUPAC NameN-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide
SMILESCOC(C)Cc1ncc2ccc(C(=O)NC(c3ccc(Cl)c(F)c3)c3ccn(C)n3)cc2n1
InChIInChI=1S/C24H23ClFN5O2/c1-14(33-3)10-22-27-13-17-5-4-16(12-21(17)28-22)24(32)29-23(20-8-9-31(2)30-20)15-6-7-18(25)19(26)11-15/h4-9,11-14,23H,10H2,1-3H3,(H,29,32)
InChIKeyKWSGWKRIVNQLAK-UHFFFAOYSA-N
XLogP4.25
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide (CID 159262760) is N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide is COC(C)Cc1ncc2ccc(C(=O)NC(c3ccc(Cl)c(F)c3)c3ccn(C)n3)cc2n1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide?
The InChIKey is KWSGWKRIVNQLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O2/c1-14(33-3)10-22-27-13-17-5-4-16(12-21(17)28-22)24(32)29-23(20-8-9-31(2)30-20)15-6-7-18(25)19(26)11-15/h4-9,11-14,23H,10H2,1-3H3,(H,29,32).
What are the key properties of N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide?
N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide has a molecular weight of 467.93 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]-2-(2-methoxypropyl)quinazoline-7-carboxamide is sourced from PubChem (CID 159262760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).