7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine

C26H34N4O2 — CID 24805874

IUPAC7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
SMILESCOc1ccc2ccc(NCCCCCN3CCN(c4ccccc4OC)CC3)nc2c1
InChIInChI=1S/C26H34N4O2/c1-31-22-12-10-21-11-13-26(28-23(21)20-22)27-14-6-3-7-15-29-16-18-30(19-17-29)24-8-4-5-9-25(24)32-2/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,27,28)
InChIKeyUAEMHPQLJHXPFP-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.66
Rot. Bonds10

About 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine

7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine (PubChem CID 24805874) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
PubChem CID24805874
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
SMILESCOc1ccc2ccc(NCCCCCN3CCN(c4ccccc4OC)CC3)nc2c1
InChIInChI=1S/C26H34N4O2/c1-31-22-12-10-21-11-13-26(28-23(21)20-22)27-14-6-3-7-15-29-16-18-30(19-17-29)24-8-4-5-9-25(24)32-2/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,27,28)
InChIKeyUAEMHPQLJHXPFP-UHFFFAOYSA-N
XLogP4.66
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine with MolForge

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Related Compounds

CP-31398
CID 9950868
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
N~2~-(3-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2951909
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
8-Methoxy-2-piperazin-1-yl-quinoline
CID 22636319
N~4~-(1-Benzylpiperidin-4-Yl)-N~2~-[3-(Dimethylamino)propyl]-6,7-Dimethoxyquinazoline-2,4-Diamine
CID 46174171
2-Cyclopropyl-6,7-dimethoxy-4-(4-(2-methoxyphenyl)piperazin-1-yl)quinazoline
CID 53245590
1-Ethyl-3-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]urea
CID 10151492
4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 14069011
4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one
CID 71543088

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine?
The IUPAC name of 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine (CID 24805874) is 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine.
What is the SMILES notation for 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine?
The canonical SMILES for 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine is COc1ccc2ccc(NCCCCCN3CCN(c4ccccc4OC)CC3)nc2c1.
What is the InChIKey of 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine?
The InChIKey is UAEMHPQLJHXPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-31-22-12-10-21-11-13-26(28-23(21)20-22)27-14-6-3-7-15-29-16-18-30(19-17-29)24-8-4-5-9-25(24)32-2/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,27,28).
What are the key properties of 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine?
7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine has a molecular weight of 434.58 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine is sourced from PubChem (CID 24805874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).