N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide

C35H37N3O4 — CID 42724253

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide
SMILESCOc1cc(NC(C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)c2ccc3ccccc3c2)c2ncccc2c1
InChIInChI=1S/C35H37N3O4/c1-24(37-31-22-30(40-2)21-28-12-7-17-36-34(28)31)9-8-18-38(23-25-13-16-32(41-3)33(19-25)42-4)35(39)29-15-14-26-10-5-6-11-27(26)20-29/h5-7,10-17,19-22,24,37H,8-9,18,23H2,1-4H3
InChIKeyKMCMQJRFETZZIP-UHFFFAOYSA-N
MW563.70 g/mol
LogP7.34
Rot. Bonds12

About N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide (PubChem CID 42724253) has the molecular formula C35H37N3O4 and a molecular weight of 563.70 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide
PubChem CID42724253
Molecular FormulaC35H37N3O4
Molecular Weight563.70 g/mol
Exact Mass563.28
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide
SMILESCOc1cc(NC(C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)c2ccc3ccccc3c2)c2ncccc2c1
InChIInChI=1S/C35H37N3O4/c1-24(37-31-22-30(40-2)21-28-12-7-17-36-34(28)31)9-8-18-38(23-25-13-16-32(41-3)33(19-25)42-4)35(39)29-15-14-26-10-5-6-11-27(26)20-29/h5-7,10-17,19-22,24,37H,8-9,18,23H2,1-4H3
InChIKeyKMCMQJRFETZZIP-UHFFFAOYSA-N
XLogP7.34
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide (CID 42724253) is N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide is COc1cc(NC(C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)c2ccc3ccccc3c2)c2ncccc2c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide?
The InChIKey is KMCMQJRFETZZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O4/c1-24(37-31-22-30(40-2)21-28-12-7-17-36-34(28)31)9-8-18-38(23-25-13-16-32(41-3)33(19-25)42-4)35(39)29-15-14-26-10-5-6-11-27(26)20-29/h5-7,10-17,19-22,24,37H,8-9,18,23H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide has a molecular weight of 563.70 g/mol, XLogP of 7.34, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42724253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).