2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile

C21H15N5 — CID 3234010

IUPAC2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1
InChIInChI=1S/C21H15N5/c22-11-17-5-1-2-6-18(17)16-7-8-20-19(10-16)21(26-14-25-20)24-13-15-4-3-9-23-12-15/h1-10,12,14H,13H2,(H,24,25,26)
InChIKeyYUVPFBVVHXSPDD-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.18
Rot. Bonds4

About 2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile

2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile (PubChem CID 3234010) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
PubChem CID3234010
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC Name2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1
InChIInChI=1S/C21H15N5/c22-11-17-5-1-2-6-18(17)16-7-8-20-19(10-16)21(26-14-25-20)24-13-15-4-3-9-23-12-15/h1-10,12,14H,13H2,(H,24,25,26)
InChIKeyYUVPFBVVHXSPDD-UHFFFAOYSA-N
XLogP4.18
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
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Senexin A
CID 56927063
Sri-9439
CID 446752
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile?
The IUPAC name of 2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile (CID 3234010) is 2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile.
What is the SMILES notation for 2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile?
The canonical SMILES for 2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile is N#Cc1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1.
What is the InChIKey of 2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile?
The InChIKey is YUVPFBVVHXSPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5/c22-11-17-5-1-2-6-18(17)16-7-8-20-19(10-16)21(26-14-25-20)24-13-15-4-3-9-23-12-15/h1-10,12,14H,13H2,(H,24,25,26).
What are the key properties of 2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile?
2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile has a molecular weight of 337.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile is sourced from PubChem (CID 3234010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).