N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine

C17H14N6 — CID 24607268

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine
SMILESc1ccc2c(NCc3ccc(-n4ccnc4)nc3)ncnc2c1
InChIInChI=1S/C17H14N6/c1-2-4-15-14(3-1)17(22-11-21-15)20-10-13-5-6-16(19-9-13)23-8-7-18-12-23/h1-9,11-12H,10H2,(H,20,21,22)
InChIKeyLJEKIBYOMOJOPA-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.82
Rot. Bonds4

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine (PubChem CID 24607268) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine
PubChem CID24607268
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine
SMILESc1ccc2c(NCc3ccc(-n4ccnc4)nc3)ncnc2c1
InChIInChI=1S/C17H14N6/c1-2-4-15-14(3-1)17(22-11-21-15)20-10-13-5-6-16(19-9-13)23-8-7-18-12-23/h1-9,11-12H,10H2,(H,20,21,22)
InChIKeyLJEKIBYOMOJOPA-UHFFFAOYSA-N
XLogP2.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine (CID 24607268) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine is c1ccc2c(NCc3ccc(-n4ccnc4)nc3)ncnc2c1.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine?
The InChIKey is LJEKIBYOMOJOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-2-4-15-14(3-1)17(22-11-21-15)20-10-13-5-6-16(19-9-13)23-8-7-18-12-23/h1-9,11-12H,10H2,(H,20,21,22).
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 24607268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).