N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide

C27H29N3O2 — CID 150444163

IUPACN-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3C(N(C)C)CC2C)cc1
InChIInChI=1S/C27H29N3O2/c1-18-9-5-6-10-22(18)26(31)28-21-15-13-20(14-16-21)27(32)30-19(2)17-25(29(3)4)23-11-7-8-12-24(23)30/h5-16,19,25H,17H2,1-4H3,(H,28,31)
InChIKeyHMKHSPRDXRNJRU-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.29
Rot. Bonds4

About N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide

N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide (PubChem CID 150444163) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide
PubChem CID150444163
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3C(N(C)C)CC2C)cc1
InChIInChI=1S/C27H29N3O2/c1-18-9-5-6-10-22(18)26(31)28-21-15-13-20(14-16-21)27(32)30-19(2)17-25(29(3)4)23-11-7-8-12-24(23)30/h5-16,19,25H,17H2,1-4H3,(H,28,31)
InChIKeyHMKHSPRDXRNJRU-UHFFFAOYSA-N
XLogP5.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[5-(dimethylamino)-2-fluoro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 67672666
N-[4-[(5R)-5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 51397025
[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
CID 150693792
2-methyl-N-[4-[(5R)-5-[methyl-(2,2,2-trifluoroacetyl)amino]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
CID 139633784
potassium;hydride;2-[methyl-[1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]amino]acetic acid
CID 173251401
N-[(2R,4S)-2-methyl-1-[4-(methylcarbamoylamino)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21093097
ethyl 2-[methyl-[1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]amino]acetate
CID 10743970
2-chloro-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
CID 10837161
[1-[4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-quinolin-4-yl] acetate
CID 19607914
N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-fluorobenzamide
CID 19608024
3-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-oxopropanoic acid
CID 10340592
2-methyl-N-[4-(3-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 67671274

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide (CID 150444163) is N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3C(N(C)C)CC2C)cc1.
What is the InChIKey of N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide?
The InChIKey is HMKHSPRDXRNJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-18-9-5-6-10-22(18)26(31)28-21-15-13-20(14-16-21)27(32)30-19(2)17-25(29(3)4)23-11-7-8-12-24(23)30/h5-16,19,25H,17H2,1-4H3,(H,28,31).
What are the key properties of N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide?
N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide has a molecular weight of 427.55 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 150444163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).