N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine

C16H12N4 — CID 9251922

IUPACN-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
SMILESC#CCNc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C16H12N4/c1-2-9-18-16-13-7-3-4-8-14(13)19-15(20-16)12-6-5-10-17-11-12/h1,3-8,10-11H,9H2,(H,18,19,20)
InChIKeyWMCFDYLLXDTVDD-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.74
Rot. Bonds3

About N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine

N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 9251922) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID9251922
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC NameN-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
SMILESC#CCNc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C16H12N4/c1-2-9-18-16-13-7-3-4-8-14(13)19-15(20-16)12-6-5-10-17-11-12/h1,3-8,10-11H,9H2,(H,18,19,20)
InChIKeyWMCFDYLLXDTVDD-UHFFFAOYSA-N
XLogP2.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
CID 55986721
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133344251
N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
CID 166215085
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine (CID 9251922) is N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine is C#CCNc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is WMCFDYLLXDTVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-9-18-16-13-7-3-4-8-14(13)19-15(20-16)12-6-5-10-17-11-12/h1,3-8,10-11H,9H2,(H,18,19,20).
What are the key properties of N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine?
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 260.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 9251922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).