N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine

C31H38ClFN6O — CID 145378256

IUPACN'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine
SMILESCN(CCCCCN)CCCOc1nc(N2CCNCC2)c2cc(Cl)c(-c3cccc4ccccc34)c(F)c2n1
InChIInChI=1S/C31H38ClFN6O/c1-38(16-6-2-5-13-34)17-8-20-40-31-36-29-25(30(37-31)39-18-14-35-15-19-39)21-26(32)27(28(29)33)24-12-7-10-22-9-3-4-11-23(22)24/h3-4,7,9-12,21,35H,2,5-6,8,13-20,34H2,1H3
InChIKeyHTCUTWQDARSFDO-UHFFFAOYSA-N
MW565.14 g/mol
LogP5.48
Rot. Bonds12

About N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine

N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine (PubChem CID 145378256) has the molecular formula C31H38ClFN6O and a molecular weight of 565.14 g/mol. Its IUPAC name is N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine
PubChem CID145378256
Molecular FormulaC31H38ClFN6O
Molecular Weight565.14 g/mol
Exact Mass564.28
IUPAC NameN'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine
SMILESCN(CCCCCN)CCCOc1nc(N2CCNCC2)c2cc(Cl)c(-c3cccc4ccccc34)c(F)c2n1
InChIInChI=1S/C31H38ClFN6O/c1-38(16-6-2-5-13-34)17-8-20-40-31-36-29-25(30(37-31)39-18-14-35-15-19-39)21-26(32)27(28(29)33)24-12-7-10-22-9-3-4-11-23(22)24/h3-4,7,9-12,21,35H,2,5-6,8,13-20,34H2,1H3
InChIKeyHTCUTWQDARSFDO-UHFFFAOYSA-N
XLogP5.48
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.14
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 2832017
N-{2-[(E)-2-(4-chlorophenyl)-1-ethenyl]benzo[g]quinazolin-4-yl}-N-[2-(diethylamino)ethyl]amine
CID 5718145
Acetic acid;6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine;hydrate
CID 118725297
US11453683, Example 177
CID 156124701
US11453683, Example 374
CID 156125112
US20230279025, Example 135
CID 164925050
6-chloro-2-cyclohexyl-7-[3-(dimethylamino)propyl]-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 155548665
N-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 118734492
3-[[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide
CID 137348777
6-N-[(1-chloronaphthalen-2-yl)methyl]quinazoline-2,4,6-triamine
CID 85871294
2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-methoxyethyl)benzo[g]quinazolin-4-amine
CID 118736570
2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(3-methoxypropyl)benzo[g]quinazolin-4-amine
CID 118736572

Frequently Asked Questions

What is the IUPAC name of N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine?
The IUPAC name of N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine (CID 145378256) is N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine?
The canonical SMILES for N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine is CN(CCCCCN)CCCOc1nc(N2CCNCC2)c2cc(Cl)c(-c3cccc4ccccc34)c(F)c2n1.
What is the InChIKey of N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine?
The InChIKey is HTCUTWQDARSFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38ClFN6O/c1-38(16-6-2-5-13-34)17-8-20-40-31-36-29-25(30(37-31)39-18-14-35-15-19-39)21-26(32)27(28(29)33)24-12-7-10-22-9-3-4-11-23(22)24/h3-4,7,9-12,21,35H,2,5-6,8,13-20,34H2,1H3.
What are the key properties of N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine?
N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine has a molecular weight of 565.14 g/mol, XLogP of 5.48, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(6-chloro-8-fluoro-7-naphthalen-1-yl-4-piperazin-1-ylquinazolin-2-yl)oxypropyl]-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 145378256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).