N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide

C23H22ClN5O2 — CID 158177329

IUPACN-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(Nc3ccc(N4CCOCC4)c(Cl)c3)c(C#N)cnc2cc1C
InChIInChI=1S/C23H22ClN5O2/c1-14-9-21-18(11-20(14)27-15(2)30)23(16(12-25)13-26-21)28-17-3-4-22(19(24)10-17)29-5-7-31-8-6-29/h3-4,9-11,13H,5-8H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyFYDSTEOOMVGVJL-UHFFFAOYSA-N
MW435.92 g/mol
LogP4.61
Rot. Bonds4

About N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide

N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide (PubChem CID 158177329) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide
PubChem CID158177329
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC NameN-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(Nc3ccc(N4CCOCC4)c(Cl)c3)c(C#N)cnc2cc1C
InChIInChI=1S/C23H22ClN5O2/c1-14-9-21-18(11-20(14)27-15(2)30)23(16(12-25)13-26-21)28-17-3-4-22(19(24)10-17)29-5-7-31-8-6-29/h3-4,9-11,13H,5-8H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyFYDSTEOOMVGVJL-UHFFFAOYSA-N
XLogP4.61
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide
CID 149098326
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-methylquinolin-6-yl]benzamide
CID 158838037
6-amino-4-(3-chloro-4-fluoroanilino)-7-(3-methyl-3-morpholin-4-ylbut-1-ynyl)quinoline-3-carbonitrile
CID 163562453
N-[4-[3-chloro-4-(2-phenylpropyl)anilino]-3-cyano-7-methylquinolin-6-yl]-4-(dimethylamino)butanamide
CID 152844480
N-[4-[3-chloro-4-(3,4-dihydropyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide
CID 143337939
N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-methylquinolin-6-yl]-4-(dimethylamino)butanamide
CID 160934001
4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-(2-morpholin-4-ylethoxy)-7-piperidin-1-ylquinoline-3-carbonitrile
CID 24778086
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)but-2-enamide
CID 67202588
4-(3-chloro-4-fluoroanilino)-7-methyl-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 69259031
N-[4-(3-chloro-4-imidazol-1-ylanilino)-3-cyano-7-methoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 69048220
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide
CID 155817353

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide?
The IUPAC name of N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide (CID 158177329) is N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide.
What is the SMILES notation for N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide?
The canonical SMILES for N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide is CC(=O)Nc1cc2c(Nc3ccc(N4CCOCC4)c(Cl)c3)c(C#N)cnc2cc1C.
What is the InChIKey of N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide?
The InChIKey is FYDSTEOOMVGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-14-9-21-18(11-20(14)27-15(2)30)23(16(12-25)13-26-21)28-17-3-4-22(19(24)10-17)29-5-7-31-8-6-29/h3-4,9-11,13H,5-8H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide?
N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide has a molecular weight of 435.92 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide is sourced from PubChem (CID 158177329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).