(Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine

C22H26N4O — CID 168926633

IUPAC(Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1ccc2cnc3[nH]cc(C4CCC(OC)CC4)c3c2c1
InChIInChI=1S/C22H26N4O/c1-24-11-17(10-23)15-3-4-16-12-25-22-21(19(16)9-15)20(13-26-22)14-5-7-18(27-2)8-6-14/h3-4,9-14,18H,5-8,23H2,1-2H3,(H,25,26)/b17-10+,24-11+
InChIKeyWAFRNQJPQMKHBG-BUGDWOBSSA-N
MW362.48 g/mol
LogP4.39
Rot. Bonds4

About (Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine

(Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine (PubChem CID 168926633) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine
PubChem CID168926633
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1ccc2cnc3[nH]cc(C4CCC(OC)CC4)c3c2c1
InChIInChI=1S/C22H26N4O/c1-24-11-17(10-23)15-3-4-16-12-25-22-21(19(16)9-15)20(13-26-22)14-5-7-18(27-2)8-6-14/h3-4,9-14,18H,5-8,23H2,1-2H3,(H,25,26)/b17-10+,24-11+
InChIKeyWAFRNQJPQMKHBG-BUGDWOBSSA-N
XLogP4.39
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol
CID 168926736
9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475411
2-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine
CID 149016975
9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(3,3-difluorocyclobutyl)-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475388
1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 130463674
[4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexyl]-piperazin-1-ylmethanone
CID 168926548
5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid
CID 143834642
(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol
CID 170633763
5-[[5-(1-amino-3-piperidin-4-yliminoprop-1-en-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-fluoro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 173471672
(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine
CID 170714570
3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
CID 154846002
N-(aminomethylidene)-4-[[5-cyano-4-(cyclohexylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N'-methylbenzenecarboximidamide
CID 166866550

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine (CID 168926633) is (Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine is C/N=C/C(=C\N)c1ccc2cnc3[nH]cc(C4CCC(OC)CC4)c3c2c1.
What is the InChIKey of (Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is WAFRNQJPQMKHBG-BUGDWOBSSA-N. The full InChI is InChI=1S/C22H26N4O/c1-24-11-17(10-23)15-3-4-16-12-25-22-21(19(16)9-15)20(13-26-22)14-5-7-18(27-2)8-6-14/h3-4,9-14,18H,5-8,23H2,1-2H3,(H,25,26)/b17-10+,24-11+.
What are the key properties of (Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine?
(Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 362.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 168926633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).