[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea

C26H21N7O — CID 51030919

IUPAC[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea
SMILESNC(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C26H21N7O/c27-26(34)31-20-13-18(14-28-15-20)24-32-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(33-24)30-16-19-9-4-5-12-29-19/h1-15H,16H2,(H3,27,31,34)(H,30,32,33)
InChIKeyUSSODORNBVBVFT-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.86
Rot. Bonds6

About [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea

[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea (PubChem CID 51030919) has the molecular formula C26H21N7O and a molecular weight of 447.50 g/mol. Its IUPAC name is [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea.

Molecular Properties

Compound Name[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea
PubChem CID51030919
Molecular FormulaC26H21N7O
Molecular Weight447.50 g/mol
Exact Mass447.18
IUPAC Name[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea
SMILESNC(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C26H21N7O/c27-26(34)31-20-13-18(14-28-15-20)24-32-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(33-24)30-16-19-9-4-5-12-29-19/h1-15H,16H2,(H3,27,31,34)(H,30,32,33)
InChIKeyUSSODORNBVBVFT-UHFFFAOYSA-N
XLogP4.86
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea?
The IUPAC name of [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea (CID 51030919) is [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea.
What is the SMILES notation for [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea?
The canonical SMILES for [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea is NC(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.
What is the InChIKey of [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea?
The InChIKey is USSODORNBVBVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O/c27-26(34)31-20-13-18(14-28-15-20)24-32-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(33-24)30-16-19-9-4-5-12-29-19/h1-15H,16H2,(H3,27,31,34)(H,30,32,33).
What are the key properties of [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea?
[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea has a molecular weight of 447.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea is sourced from PubChem (CID 51030919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).