N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide

C27H21N5O3 — CID 42641056

IUPACN-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Oc5ccccc5)cc4)ncc3c2)ccn1
InChIInChI=1S/C27H21N5O3/c1-28-26(33)25-16-23(13-14-29-25)35-22-11-12-24-18(15-22)17-30-27(32-24)31-19-7-9-21(10-8-19)34-20-5-3-2-4-6-20/h2-17H,1H3,(H,28,33)(H,30,31,32)
InChIKeyDXCFCPLDEWZTNB-UHFFFAOYSA-N
MW463.50 g/mol
LogP5.71
Rot. Bonds7

About N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide

N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide (PubChem CID 42641056) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
PubChem CID42641056
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC NameN-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Oc5ccccc5)cc4)ncc3c2)ccn1
InChIInChI=1S/C27H21N5O3/c1-28-26(33)25-16-23(13-14-29-25)35-22-11-12-24-18(15-22)17-30-27(32-24)31-19-7-9-21(10-8-19)34-20-5-3-2-4-6-20/h2-17H,1H3,(H,28,33)(H,30,31,32)
InChIKeyDXCFCPLDEWZTNB-UHFFFAOYSA-N
XLogP5.71
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide (CID 42641056) is N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Oc5ccccc5)cc4)ncc3c2)ccn1.
What is the InChIKey of N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The InChIKey is DXCFCPLDEWZTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c1-28-26(33)25-16-23(13-14-29-25)35-22-11-12-24-18(15-22)17-30-27(32-24)31-19-7-9-21(10-8-19)34-20-5-3-2-4-6-20/h2-17H,1H3,(H,28,33)(H,30,31,32).
What are the key properties of N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(4-phenoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 42641056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).