N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide

C26H26N4O2 — CID 25204201

IUPACN-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccccc2)ccc1Nc1cc(N(C)C)c2ccccc2n1
InChIInChI=1S/C26H26N4O2/c1-30(2)23-16-25(28-21-12-8-7-11-20(21)23)29-22-14-13-19(15-24(22)32-3)26(31)27-17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyAUAJKSBPCRZTGU-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.98
Rot. Bonds7

About N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide

N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide (PubChem CID 25204201) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide
PubChem CID25204201
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccccc2)ccc1Nc1cc(N(C)C)c2ccccc2n1
InChIInChI=1S/C26H26N4O2/c1-30(2)23-16-25(28-21-12-8-7-11-20(21)23)29-22-14-13-19(15-24(22)32-3)26(31)27-17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyAUAJKSBPCRZTGU-UHFFFAOYSA-N
XLogP4.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ssr161421
CID 10201497
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide
CID 15987645
2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444920
2-amino-8-methoxy-N-[(6-propan-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444963
2-amino-8-methoxy-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444996
3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamide
CID 4219491
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
CID 15987793
4-amino-N-{2-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]phenyl}-3-methoxybenzamide
CID 23644728
4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide
CID 146037608
3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide
CID 146037609
4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 146037610
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide?
The IUPAC name of N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide (CID 25204201) is N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide.
What is the SMILES notation for N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide?
The canonical SMILES for N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide is COc1cc(C(=O)NCc2ccccc2)ccc1Nc1cc(N(C)C)c2ccccc2n1.
What is the InChIKey of N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide?
The InChIKey is AUAJKSBPCRZTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-30(2)23-16-25(28-21-12-8-7-11-20(21)23)29-22-14-13-19(15-24(22)32-3)26(31)27-17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide?
N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide has a molecular weight of 426.52 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[4-(dimethylamino)quinolin-2-yl]amino]-3-methoxybenzamide is sourced from PubChem (CID 25204201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).