6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine

C36H41N5O2 — CID 10303570

IUPAC6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine
SMILESCOc1cc2nc(-c3ccc4ccccc4c3)nc(NCCCCCCN3CCN(c4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C36H41N5O2/c1-42-33-25-31-32(26-34(33)43-2)38-35(29-17-16-27-12-8-9-13-28(27)24-29)39-36(31)37-18-10-3-4-11-19-40-20-22-41(23-21-40)30-14-6-5-7-15-30/h5-9,12-17,24-26H,3-4,10-11,18-23H2,1-2H3,(H,37,38,39)
InChIKeyDXNWGMULGROKIZ-UHFFFAOYSA-N
MW575.76 g/mol
LogP7.26
Rot. Bonds12

About 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine

6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine (PubChem CID 10303570) has the molecular formula C36H41N5O2 and a molecular weight of 575.76 g/mol. Its IUPAC name is 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine
PubChem CID10303570
Molecular FormulaC36H41N5O2
Molecular Weight575.76 g/mol
Exact Mass575.33
IUPAC Name6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine
SMILESCOc1cc2nc(-c3ccc4ccccc4c3)nc(NCCCCCCN3CCN(c4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C36H41N5O2/c1-42-33-25-31-32(26-34(33)43-2)38-35(29-17-16-27-12-8-9-13-28(27)24-29)39-36(31)37-18-10-3-4-11-19-40-20-22-41(23-21-40)30-14-6-5-7-15-30/h5-9,12-17,24-26H,3-4,10-11,18-23H2,1-2H3,(H,37,38,39)
InChIKeyDXNWGMULGROKIZ-UHFFFAOYSA-N
XLogP7.26
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine with MolForge

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Related Compounds

N-[5-(4-ethylpiperazin-1-yl)pentyl]-6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-amine
CID 10229490
N-(6,7-dimethoxy-2-naphthalen-2-ylquinazolin-4-yl)-N',N'-dipropylpentane-1,5-diamine
CID 10185406
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
2,3-dihydroxybutanedioic acid;6,7-dimethoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 25128005
N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 11774935
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
CID 11270403
2-(3,3-difluoroazetidin-1-yl)-6,7-dimethoxy-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
CID 122191700
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171352054
6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003457
6,7-dimethoxy-2-N-methyl-2-N-(4-pyrrolidin-1-ylbutyl)-4-N-(5-pyrrolidin-1-ylpentyl)quinazoline-2,4-diamine
CID 122191704
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine (CID 10303570) is 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine is COc1cc2nc(-c3ccc4ccccc4c3)nc(NCCCCCCN3CCN(c4ccccc4)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine?
The InChIKey is DXNWGMULGROKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O2/c1-42-33-25-31-32(26-34(33)43-2)38-35(29-17-16-27-12-8-9-13-28(27)24-29)39-36(31)37-18-10-3-4-11-19-40-20-22-41(23-21-40)30-14-6-5-7-15-30/h5-9,12-17,24-26H,3-4,10-11,18-23H2,1-2H3,(H,37,38,39).
What are the key properties of 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine?
6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine has a molecular weight of 575.76 g/mol, XLogP of 7.26, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-naphthalen-2-yl-N-[6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-amine is sourced from PubChem (CID 10303570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).