N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide

C21H15ClN4O — CID 71577674

IUPACN-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide
SMILESC/N=C/NC1=C(C#N)C(c2ccc(Cl)cc2)c2ccc3cccnc3c2O1
InChIInChI=1S/C21H15ClN4O/c1-24-12-26-21-17(11-23)18(13-4-7-15(22)8-5-13)16-9-6-14-3-2-10-25-19(14)20(16)27-21/h2-10,12,18H,1H3,(H,24,26)
InChIKeyDYZJDIIARKUKPK-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.40
Rot. Bonds3

About N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide

N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide (PubChem CID 71577674) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide
PubChem CID71577674
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC NameN-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide
SMILESC/N=C/NC1=C(C#N)C(c2ccc(Cl)cc2)c2ccc3cccnc3c2O1
InChIInChI=1S/C21H15ClN4O/c1-24-12-26-21-17(11-23)18(13-4-7-15(22)8-5-13)16-9-6-14-3-2-10-25-19(14)20(16)27-21/h2-10,12,18H,1H3,(H,24,26)
InChIKeyDYZJDIIARKUKPK-UHFFFAOYSA-N
XLogP4.40
TPSA70.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide (CID 71577674) is N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide is C/N=C/NC1=C(C#N)C(c2ccc(Cl)cc2)c2ccc3cccnc3c2O1.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide?
The InChIKey is DYZJDIIARKUKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c1-24-12-26-21-17(11-23)18(13-4-7-15(22)8-5-13)16-9-6-14-3-2-10-25-19(14)20(16)27-21/h2-10,12,18H,1H3,(H,24,26).
What are the key properties of N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide?
N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide has a molecular weight of 374.83 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-cyano-4H-pyrano[3,2-h]quinolin-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 71577674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).