(3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine

C23H26N4 — CID 142128440

IUPAC(3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine
SMILESC=C(/C=C(/C)NCCC)Nc1nc(-c2ccccc2C)nc2ccccc12
InChIInChI=1S/C23H26N4/c1-5-14-24-17(3)15-18(4)25-23-20-12-8-9-13-21(20)26-22(27-23)19-11-7-6-10-16(19)2/h6-13,15,24H,4-5,14H2,1-3H3,(H,25,26,27)/b17-15-
InChIKeyZFNJKFJTDQPHMO-ICFOKQHNSA-N
MW358.49 g/mol
LogP5.43
Rot. Bonds7

About (3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine

(3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine (PubChem CID 142128440) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is (3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name(3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine
PubChem CID142128440
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name(3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine
SMILESC=C(/C=C(/C)NCCC)Nc1nc(-c2ccccc2C)nc2ccccc12
InChIInChI=1S/C23H26N4/c1-5-14-24-17(3)15-18(4)25-23-20-12-8-9-13-21(20)26-22(27-23)19-11-7-6-10-16(19)2/h6-13,15,24H,4-5,14H2,1-3H3,(H,25,26,27)/b17-15-
InChIKeyZFNJKFJTDQPHMO-ICFOKQHNSA-N
XLogP5.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine?
The IUPAC name of (3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine (CID 142128440) is (3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine.
What is the SMILES notation for (3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine?
The canonical SMILES for (3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine is C=C(/C=C(/C)NCCC)Nc1nc(-c2ccccc2C)nc2ccccc12.
What is the InChIKey of (3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine?
The InChIKey is ZFNJKFJTDQPHMO-ICFOKQHNSA-N. The full InChI is InChI=1S/C23H26N4/c1-5-14-24-17(3)15-18(4)25-23-20-12-8-9-13-21(20)26-22(27-23)19-11-7-6-10-16(19)2/h6-13,15,24H,4-5,14H2,1-3H3,(H,25,26,27)/b17-15-.
What are the key properties of (3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine?
(3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine has a molecular weight of 358.49 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine is sourced from PubChem (CID 142128440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).