1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide

C34H34N4O4 — CID 44534346

IUPAC1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide
SMILESCOc1cc(C(C)C)nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5nc(C(C)C)cc(OC)c5c4)cc3)cc12
InChIInChI=1S/C34H34N4O4/c1-19(2)29-17-31(41-5)25-15-23(11-13-27(25)37-29)35-33(39)21-7-9-22(10-8-21)34(40)36-24-12-14-28-26(16-24)32(42-6)18-30(38-28)20(3)4/h7-20H,1-6H3,(H,35,39)(H,36,40)
InChIKeyFPJPLSVBQKSYQX-UHFFFAOYSA-N
MW562.67 g/mol
LogP7.55
Rot. Bonds8

About 1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide

1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide (PubChem CID 44534346) has the molecular formula C34H34N4O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is 1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide
PubChem CID44534346
Molecular FormulaC34H34N4O4
Molecular Weight562.67 g/mol
Exact Mass562.26
IUPAC Name1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide
SMILESCOc1cc(C(C)C)nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5nc(C(C)C)cc(OC)c5c4)cc3)cc12
InChIInChI=1S/C34H34N4O4/c1-19(2)29-17-31(41-5)25-15-23(11-13-27(25)37-29)35-33(39)21-7-9-22(10-8-21)34(40)36-24-12-14-28-26(16-24)32(42-6)18-30(38-28)20(3)4/h7-20H,1-6H3,(H,35,39)(H,36,40)
InChIKeyFPJPLSVBQKSYQX-UHFFFAOYSA-N
XLogP7.55
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid
CID 10806772
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 56690013
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
CID 53113425
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 53113500

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide (CID 44534346) is 1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide is COc1cc(C(C)C)nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5nc(C(C)C)cc(OC)c5c4)cc3)cc12.
What is the InChIKey of 1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide?
The InChIKey is FPJPLSVBQKSYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O4/c1-19(2)29-17-31(41-5)25-15-23(11-13-27(25)37-29)35-33(39)21-7-9-22(10-8-21)34(40)36-24-12-14-28-26(16-24)32(42-6)18-30(38-28)20(3)4/h7-20H,1-6H3,(H,35,39)(H,36,40).
What are the key properties of 1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide has a molecular weight of 562.67 g/mol, XLogP of 7.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 44534346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).