2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide

C34H28N6O — CID 67307881

IUPAC2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
SMILESCC(Nc1cc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)ccc1C(N)=O)c1cn(C)cn1
InChIInChI=1S/C34H28N6O/c1-21(30-19-39(2)20-37-30)38-29-17-24(14-15-26(29)34(35)41)40-31-12-6-4-9-27(31)33-25(10-7-13-32(33)40)23-16-22-8-3-5-11-28(22)36-18-23/h3-21,38H,1-2H3,(H2,35,41)
InChIKeyFABANKPJAMJAHM-UHFFFAOYSA-N
MW536.64 g/mol
LogP7.00
Rot. Bonds6

About 2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide

2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide (PubChem CID 67307881) has the molecular formula C34H28N6O and a molecular weight of 536.64 g/mol. Its IUPAC name is 2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide.

Molecular Properties

Compound Name2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
PubChem CID67307881
Molecular FormulaC34H28N6O
Molecular Weight536.64 g/mol
Exact Mass536.23
IUPAC Name2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
SMILESCC(Nc1cc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)ccc1C(N)=O)c1cn(C)cn1
InChIInChI=1S/C34H28N6O/c1-21(30-19-39(2)20-37-30)38-29-17-24(14-15-26(29)34(35)41)40-31-12-6-4-9-27(31)33-25(10-7-13-32(33)40)23-16-22-8-3-5-11-28(22)36-18-23/h3-21,38H,1-2H3,(H2,35,41)
InChIKeyFABANKPJAMJAHM-UHFFFAOYSA-N
XLogP7.00
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide?
The IUPAC name of 2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide (CID 67307881) is 2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide.
What is the SMILES notation for 2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide?
The canonical SMILES for 2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide is CC(Nc1cc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)ccc1C(N)=O)c1cn(C)cn1.
What is the InChIKey of 2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide?
The InChIKey is FABANKPJAMJAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N6O/c1-21(30-19-39(2)20-37-30)38-29-17-24(14-15-26(29)34(35)41)40-31-12-6-4-9-27(31)33-25(10-7-13-32(33)40)23-16-22-8-3-5-11-28(22)36-18-23/h3-21,38H,1-2H3,(H2,35,41).
What are the key properties of 2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide?
2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide has a molecular weight of 536.64 g/mol, XLogP of 7.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide is sourced from PubChem (CID 67307881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).