N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide

C40H36N4O3 — CID 66800658

IUPACN-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide
SMILESCOc1ccc(CNc2nc3ccc(-c4cccc(NC(=O)c5ccccc5)c4)cc3cc2-c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C40H36N4O3/c1-46-36-17-10-28(11-18-36)27-41-39-37(29-12-15-35(16-13-29)44-20-22-47-23-21-44)26-33-24-32(14-19-38(33)43-39)31-8-5-9-34(25-31)42-40(45)30-6-3-2-4-7-30/h2-19,24-26H,20-23,27H2,1H3,(H,41,43)(H,42,45)
InChIKeyOWQQTVKUZBIULR-UHFFFAOYSA-N
MW620.75 g/mol
LogP8.28
Rot. Bonds9

About N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide

N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide (PubChem CID 66800658) has the molecular formula C40H36N4O3 and a molecular weight of 620.75 g/mol. Its IUPAC name is N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide
PubChem CID66800658
Molecular FormulaC40H36N4O3
Molecular Weight620.75 g/mol
Exact Mass620.28
IUPAC NameN-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide
SMILESCOc1ccc(CNc2nc3ccc(-c4cccc(NC(=O)c5ccccc5)c4)cc3cc2-c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C40H36N4O3/c1-46-36-17-10-28(11-18-36)27-41-39-37(29-12-15-35(16-13-29)44-20-22-47-23-21-44)26-33-24-32(14-19-38(33)43-39)31-8-5-9-34(25-31)42-40(45)30-6-3-2-4-7-30/h2-19,24-26H,20-23,27H2,1H3,(H,41,43)(H,42,45)
InChIKeyOWQQTVKUZBIULR-UHFFFAOYSA-N
XLogP8.28
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 58.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 174753942
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46386528
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
N-(3-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxamide
CID 126471999
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638692
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19508813

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide?
The IUPAC name of N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide (CID 66800658) is N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide is COc1ccc(CNc2nc3ccc(-c4cccc(NC(=O)c5ccccc5)c4)cc3cc2-c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide?
The InChIKey is OWQQTVKUZBIULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O3/c1-46-36-17-10-28(11-18-36)27-41-39-37(29-12-15-35(16-13-29)44-20-22-47-23-21-44)26-33-24-32(14-19-38(33)43-39)31-8-5-9-34(25-31)42-40(45)30-6-3-2-4-7-30/h2-19,24-26H,20-23,27H2,1H3,(H,41,43)(H,42,45).
What are the key properties of N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide?
N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide has a molecular weight of 620.75 g/mol, XLogP of 8.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide is sourced from PubChem (CID 66800658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).