3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride

C23H26Cl2N4 — CID 69076320

IUPAC3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride
SMILESCC(C)(N)CCNc1nc(-c2ccc3ccccc3c2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C23H24N4.2ClH/c1-23(2,24)13-14-25-22-19-9-5-6-10-20(19)26-21(27-22)18-12-11-16-7-3-4-8-17(16)15-18;;/h3-12,15H,13-14,24H2,1-2H3,(H,25,26,27);2*1H
InChIKeyJVCDFLGSTZHQBX-UHFFFAOYSA-N
MW429.40 g/mol
LogP5.83
Rot. Bonds5

About 3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride

3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride (PubChem CID 69076320) has the molecular formula C23H26Cl2N4 and a molecular weight of 429.40 g/mol. Its IUPAC name is 3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride
PubChem CID69076320
Molecular FormulaC23H26Cl2N4
Molecular Weight429.40 g/mol
Exact Mass428.15
IUPAC Name3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride
SMILESCC(C)(N)CCNc1nc(-c2ccc3ccccc3c2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C23H24N4.2ClH/c1-23(2,24)13-14-25-22-19-9-5-6-10-20(19)26-21(27-22)18-12-11-16-7-3-4-8-17(16)15-18;;/h3-12,15H,13-14,24H2,1-2H3,(H,25,26,27);2*1H
InChIKeyJVCDFLGSTZHQBX-UHFFFAOYSA-N
XLogP5.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.40
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-(7-methoxy-1-benzofuran-2-yl)quinazolin-4-yl]-3-methylbutane-1,3-diamine;dihydrochloride
CID 69069295
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine
CID 10278674
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)-N',N'-dipropylpentane-1,5-diamine
CID 10185406
2-(3-bromophenyl)-N-(3-phenylpropyl)quinazolin-4-amine
CID 46086052
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole
CID 163592930
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride
CID 45261670

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride?
The IUPAC name of 3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride (CID 69076320) is 3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride?
The canonical SMILES for 3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride is CC(C)(N)CCNc1nc(-c2ccc3ccccc3c2)nc2ccccc12.Cl.Cl.
What is the InChIKey of 3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride?
The InChIKey is JVCDFLGSTZHQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4.2ClH/c1-23(2,24)13-14-25-22-19-9-5-6-10-20(19)26-21(27-22)18-12-11-16-7-3-4-8-17(16)15-18;;/h3-12,15H,13-14,24H2,1-2H3,(H,25,26,27);2*1H.
What are the key properties of 3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride?
3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride has a molecular weight of 429.40 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 69076320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).