2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine

C26H28N4 — CID 23196584

IUPAC2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
SMILESc1ccc(CCCNc2nc(NCCCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H28N4/c1-3-11-21(12-4-1)15-9-19-27-25-23-17-7-8-18-24(23)29-26(30-25)28-20-10-16-22-13-5-2-6-14-22/h1-8,11-14,17-18H,9-10,15-16,19-20H2,(H2,27,28,29,30)
InChIKeyDCRWDKICAFDCNF-UHFFFAOYSA-N
MW396.54 g/mol
LogP5.72
Rot. Bonds10

About 2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine

2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine (PubChem CID 23196584) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
PubChem CID23196584
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
SMILESc1ccc(CCCNc2nc(NCCCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H28N4/c1-3-11-21(12-4-1)15-9-19-27-25-23-17-7-8-18-24(23)29-26(30-25)28-20-10-16-22-13-5-2-6-14-22/h1-8,11-14,17-18H,9-10,15-16,19-20H2,(H2,27,28,29,30)
InChIKeyDCRWDKICAFDCNF-UHFFFAOYSA-N
XLogP5.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine
CID 69232334
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
2-(3-bromophenyl)-N-(3-phenylpropyl)quinazolin-4-amine
CID 46086052
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076
2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 5350492
4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
CID 91963709
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine (CID 23196584) is 2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine is c1ccc(CCCNc2nc(NCCCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine?
The InChIKey is DCRWDKICAFDCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-3-11-21(12-4-1)15-9-19-27-25-23-17-7-8-18-24(23)29-26(30-25)28-20-10-16-22-13-5-2-6-14-22/h1-8,11-14,17-18H,9-10,15-16,19-20H2,(H2,27,28,29,30).
What are the key properties of 2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine?
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine has a molecular weight of 396.54 g/mol, XLogP of 5.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 23196584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).