N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine

C23H22N4 — CID 142682219

IUPACN-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc(CCCCNc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C23H22N4/c1-2-8-18(9-3-1)10-6-7-15-25-23-20-11-4-5-12-21(20)26-22(27-23)19-13-16-24-17-14-19/h1-5,8-9,11-14,16-17H,6-7,10,15H2,(H,25,26,27)
InChIKeyKJBSKTPJAKNWFT-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.13
Rot. Bonds7

About N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine

N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 142682219) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID142682219
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC NameN-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc(CCCCNc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C23H22N4/c1-2-8-18(9-3-1)10-6-7-15-25-23-20-11-4-5-12-21(20)26-22(27-23)19-13-16-24-17-14-19/h1-5,8-9,11-14,16-17H,6-7,10,15H2,(H,25,26,27)
InChIKeyKJBSKTPJAKNWFT-UHFFFAOYSA-N
XLogP5.13
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile
CID 133299899
2-(3-bromophenyl)-N-(3-phenylpropyl)quinazolin-4-amine
CID 46086052
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine
CID 69232334
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine
CID 55516417
N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine
CID 69222573
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine (CID 142682219) is N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine is c1ccc(CCCCNc2nc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is KJBSKTPJAKNWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-2-8-18(9-3-1)10-6-7-15-25-23-20-11-4-5-12-21(20)26-22(27-23)19-13-16-24-17-14-19/h1-5,8-9,11-14,16-17H,6-7,10,15H2,(H,25,26,27).
What are the key properties of N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 142682219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).