6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine

C27H28N4 — CID 11718461

IUPAC6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCc1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C)CC5)cc4)c3c2)cc1
InChIInChI=1S/C27H28N4/c1-20-3-5-21(6-4-20)22-7-12-26-25(19-22)27(13-14-28-26)29-23-8-10-24(11-9-23)31-17-15-30(2)16-18-31/h3-14,19H,15-18H2,1-2H3,(H,28,29)
InChIKeyFYMURMGSNGUNKE-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.71
Rot. Bonds4

About 6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine

6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (PubChem CID 11718461) has the molecular formula C27H28N4 and a molecular weight of 408.55 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
PubChem CID11718461
Molecular FormulaC27H28N4
Molecular Weight408.55 g/mol
Exact Mass408.23
IUPAC Name6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCc1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C)CC5)cc4)c3c2)cc1
InChIInChI=1S/C27H28N4/c1-20-3-5-21(6-4-20)22-7-12-26-25(19-22)27(13-14-28-26)29-23-8-10-24(11-9-23)31-17-15-30(2)16-18-31/h3-14,19H,15-18H2,1-2H3,(H,28,29)
InChIKeyFYMURMGSNGUNKE-UHFFFAOYSA-N
XLogP5.71
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

CID 443101
CID 443101
CID 540335
CID 540335
CID 668053
CID 668053
CID 1534386
CID 1534386
CID 72201045
CID 72201045
CID 25926
CID 25926
CID 53313
CID 53313
CID 9811445
CID 9811445
CID 3022182
CID 3022182
CID 454715
CID 454715
CID 2728458
CID 2728458
CID 10481357
CID 10481357

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The IUPAC name of 6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (CID 11718461) is 6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.
What is the SMILES notation for 6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The canonical SMILES for 6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is Cc1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C)CC5)cc4)c3c2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The InChIKey is FYMURMGSNGUNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4/c1-20-3-5-21(6-4-20)22-7-12-26-25(19-22)27(13-14-28-26)29-23-8-10-24(11-9-23)31-17-15-30(2)16-18-31/h3-14,19H,15-18H2,1-2H3,(H,28,29).
What are the key properties of 6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine has a molecular weight of 408.55 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is sourced from PubChem (CID 11718461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).