N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine

C31H40N4O2 — CID 10278674

IUPACN',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine
SMILESCCCCN(CCCC)CCCNc1nc(-c2ccc3ccccc3c2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C31H40N4O2/c1-5-7-17-35(18-8-6-2)19-11-16-32-31-26-21-28(36-3)29(37-4)22-27(26)33-30(34-31)25-15-14-23-12-9-10-13-24(23)20-25/h9-10,12-15,20-22H,5-8,11,16-19H2,1-4H3,(H,32,33,34)
InChIKeyARDPPFFPKJIJEN-UHFFFAOYSA-N
MW500.69 g/mol
LogP7.17
Rot. Bonds14

About N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine

N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine (PubChem CID 10278674) has the molecular formula C31H40N4O2 and a molecular weight of 500.69 g/mol. Its IUPAC name is N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine
PubChem CID10278674
Molecular FormulaC31H40N4O2
Molecular Weight500.69 g/mol
Exact Mass500.32
IUPAC NameN',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine
SMILESCCCCN(CCCC)CCCNc1nc(-c2ccc3ccccc3c2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C31H40N4O2/c1-5-7-17-35(18-8-6-2)19-11-16-32-31-26-21-28(36-3)29(37-4)22-27(26)33-30(34-31)25-15-14-23-12-9-10-13-24(23)20-25/h9-10,12-15,20-22H,5-8,11,16-19H2,1-4H3,(H,32,33,34)
InChIKeyARDPPFFPKJIJEN-UHFFFAOYSA-N
XLogP7.17
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)-N',N'-dipropylpentane-1,5-diamine
CID 10185406
N-[5-(4-ethylpiperazin-1-yl)pentyl]-6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-amine
CID 10229490
6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine
CID 10303570
N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586
6,7-dimethoxy-2-phenyl-N-(2-pyridin-2-ylethyl)quinazolin-4-amine
CID 117093998
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 84977192
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 22692934
N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873093
3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride
CID 69076320
N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
CID 162652644

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine (CID 10278674) is N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine is CCCCN(CCCC)CCCNc1nc(-c2ccc3ccccc3c2)nc2cc(OC)c(OC)cc12.
What is the InChIKey of N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine?
The InChIKey is ARDPPFFPKJIJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O2/c1-5-7-17-35(18-8-6-2)19-11-16-32-31-26-21-28(36-3)29(37-4)22-27(26)33-30(34-31)25-15-14-23-12-9-10-13-24(23)20-25/h9-10,12-15,20-22H,5-8,11,16-19H2,1-4H3,(H,32,33,34).
What are the key properties of N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine?
N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine has a molecular weight of 500.69 g/mol, XLogP of 7.17, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 10278674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).