4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide

C32H33N5O2 — CID 144929971

IUPAC4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide
SMILESCC1CN(c2ccc(NC=O)cn2)CC(C)O1.Cc1cnc2c(-c3ccc(C#N)cc3)cccc2c1C1CC1
InChIInChI=1S/C20H16N2.C12H17N3O2/c1-13-12-22-20-17(15-7-5-14(11-21)6-8-15)3-2-4-18(20)19(13)16-9-10-16;1-9-6-15(7-10(2)17-9)12-4-3-11(5-13-12)14-8-16/h2-8,12,16H,9-10H2,1H3;3-5,8-10H,6-7H2,1-2H3,(H,14,16)
InChIKeyCLOHIFYLCOBJLF-UHFFFAOYSA-N
MW519.65 g/mol
LogP6.22
Rot. Bonds5

About 4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide

4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide (PubChem CID 144929971) has the molecular formula C32H33N5O2 and a molecular weight of 519.65 g/mol. Its IUPAC name is 4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide.

Molecular Properties

Compound Name4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide
PubChem CID144929971
Molecular FormulaC32H33N5O2
Molecular Weight519.65 g/mol
Exact Mass519.26
IUPAC Name4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide
SMILESCC1CN(c2ccc(NC=O)cn2)CC(C)O1.Cc1cnc2c(-c3ccc(C#N)cc3)cccc2c1C1CC1
InChIInChI=1S/C20H16N2.C12H17N3O2/c1-13-12-22-20-17(15-7-5-14(11-21)6-8-15)3-2-4-18(20)19(13)16-9-10-16;1-9-6-15(7-10(2)17-9)12-4-3-11(5-13-12)14-8-16/h2-8,12,16H,9-10H2,1H3;3-5,8-10H,6-7H2,1-2H3,(H,14,16)
InChIKeyCLOHIFYLCOBJLF-UHFFFAOYSA-N
XLogP6.22
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide?
The IUPAC name of 4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide (CID 144929971) is 4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide.
What is the SMILES notation for 4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide?
The canonical SMILES for 4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide is CC1CN(c2ccc(NC=O)cn2)CC(C)O1.Cc1cnc2c(-c3ccc(C#N)cc3)cccc2c1C1CC1.
What is the InChIKey of 4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide?
The InChIKey is CLOHIFYLCOBJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2.C12H17N3O2/c1-13-12-22-20-17(15-7-5-14(11-21)6-8-15)3-2-4-18(20)19(13)16-9-10-16;1-9-6-15(7-10(2)17-9)12-4-3-11(5-13-12)14-8-16/h2-8,12,16H,9-10H2,1H3;3-5,8-10H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide?
4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide has a molecular weight of 519.65 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide is sourced from PubChem (CID 144929971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).