N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide

C20H13ClN4O2 — CID 163409075

IUPACN-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2nc(Cl)nc3ccccc23)cc1)c1cccnc1
InChIInChI=1S/C20H13ClN4O2/c21-20-24-17-6-2-1-5-16(17)19(25-20)27-15-9-7-14(8-10-15)23-18(26)13-4-3-11-22-12-13/h1-12H,(H,23,26)
InChIKeyMSGVEATXZLQCQR-UHFFFAOYSA-N
MW376.80 g/mol
LogP4.72
Rot. Bonds4

About N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide

N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide (PubChem CID 163409075) has the molecular formula C20H13ClN4O2 and a molecular weight of 376.80 g/mol. Its IUPAC name is N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide
PubChem CID163409075
Molecular FormulaC20H13ClN4O2
Molecular Weight376.80 g/mol
Exact Mass376.07
IUPAC NameN-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2nc(Cl)nc3ccccc23)cc1)c1cccnc1
InChIInChI=1S/C20H13ClN4O2/c21-20-24-17-6-2-1-5-16(17)19(25-20)27-15-9-7-14(8-10-15)23-18(26)13-4-3-11-22-12-13/h1-12H,(H,23,26)
InChIKeyMSGVEATXZLQCQR-UHFFFAOYSA-N
XLogP4.72
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide (CID 163409075) is N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Oc2nc(Cl)nc3ccccc23)cc1)c1cccnc1.
What is the InChIKey of N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide?
The InChIKey is MSGVEATXZLQCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2/c21-20-24-17-6-2-1-5-16(17)19(25-20)27-15-9-7-14(8-10-15)23-18(26)13-4-3-11-22-12-13/h1-12H,(H,23,26).
What are the key properties of N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide?
N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide has a molecular weight of 376.80 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroquinazolin-4-yl)oxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 163409075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).