N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine

C26H21N5 — CID 57415123

IUPACN-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc4cc(-c5ccccc5)ccc34)nc2)ccn1
InChIInChI=1S/C26H21N5/c1-18-13-21(11-12-27-18)22-7-9-23(28-15-22)16-29-26-24-10-8-20(14-25(24)30-17-31-26)19-5-3-2-4-6-19/h2-15,17H,16H2,1H3,(H,29,30,31)
InChIKeyQOMVJVFSCCDLHA-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.67
Rot. Bonds5

About N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine

N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine (PubChem CID 57415123) has the molecular formula C26H21N5 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine
PubChem CID57415123
Molecular FormulaC26H21N5
Molecular Weight403.49 g/mol
Exact Mass403.18
IUPAC NameN-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc4cc(-c5ccccc5)ccc34)nc2)ccn1
InChIInChI=1S/C26H21N5/c1-18-13-21(11-12-27-18)22-7-9-23(28-15-22)16-29-26-24-10-8-20(14-25(24)30-17-31-26)19-5-3-2-4-6-19/h2-15,17H,16H2,1H3,(H,29,30,31)
InChIKeyQOMVJVFSCCDLHA-UHFFFAOYSA-N
XLogP5.67
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine?
The IUPAC name of N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine (CID 57415123) is N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine.
What is the SMILES notation for N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine?
The canonical SMILES for N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine is Cc1cc(-c2ccc(CNc3ncnc4cc(-c5ccccc5)ccc34)nc2)ccn1.
What is the InChIKey of N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine?
The InChIKey is QOMVJVFSCCDLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5/c1-18-13-21(11-12-27-18)22-7-9-23(28-15-22)16-29-26-24-10-8-20(14-25(24)30-17-31-26)19-5-3-2-4-6-19/h2-15,17H,16H2,1H3,(H,29,30,31).
What are the key properties of N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine?
N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine has a molecular weight of 403.49 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine is sourced from PubChem (CID 57415123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).