N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide

C27H22N4O3 — CID 4622128

IUPACN-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide
SMILESO=C(NN1C(=O)c2ccccc2NC1c1ccccc1OCc1ccccc1)c1ccncc1
InChIInChI=1S/C27H22N4O3/c32-26(20-14-16-28-17-15-20)30-31-25(29-23-12-6-4-10-21(23)27(31)33)22-11-5-7-13-24(22)34-18-19-8-2-1-3-9-19/h1-17,25,29H,18H2,(H,30,32)
InChIKeyKVGHDGTVLAORHH-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.57
Rot. Bonds6

About N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide

N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide (PubChem CID 4622128) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide
PubChem CID4622128
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC NameN-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide
SMILESO=C(NN1C(=O)c2ccccc2NC1c1ccccc1OCc1ccccc1)c1ccncc1
InChIInChI=1S/C27H22N4O3/c32-26(20-14-16-28-17-15-20)30-31-25(29-23-12-6-4-10-21(23)27(31)33)22-11-5-7-13-24(22)34-18-19-8-2-1-3-9-19/h1-17,25,29H,18H2,(H,30,32)
InChIKeyKVGHDGTVLAORHH-UHFFFAOYSA-N
XLogP4.57
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide (CID 4622128) is N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide is O=C(NN1C(=O)c2ccccc2NC1c1ccccc1OCc1ccccc1)c1ccncc1.
What is the InChIKey of N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide?
The InChIKey is KVGHDGTVLAORHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c32-26(20-14-16-28-17-15-20)30-31-25(29-23-12-6-4-10-21(23)27(31)33)22-11-5-7-13-24(22)34-18-19-8-2-1-3-9-19/h1-17,25,29H,18H2,(H,30,32).
What are the key properties of N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide?
N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 4622128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).