1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile

C30H28ClN5O2 — CID 88952829

IUPAC1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
SMILESC=C/C(C)=C(\NC)c1cc(C)nc2c(OCc3c(Cl)cc(C)nc3Cn3cccc(C#N)c3=O)cccc12
InChIInChI=1S/C30H28ClN5O2/c1-6-18(2)28(33-5)23-13-19(3)35-29-22(23)10-7-11-27(29)38-17-24-25(31)14-20(4)34-26(24)16-36-12-8-9-21(15-32)30(36)37/h6-14,33H,1,16-17H2,2-5H3/b28-18-
InChIKeyRWPPZRUBQVFDFX-VEILYXNESA-N
MW526.04 g/mol
LogP5.70
Rot. Bonds8

About 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile

1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 88952829) has the molecular formula C30H28ClN5O2 and a molecular weight of 526.04 g/mol. Its IUPAC name is 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
PubChem CID88952829
Molecular FormulaC30H28ClN5O2
Molecular Weight526.04 g/mol
Exact Mass525.19
IUPAC Name1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
SMILESC=C/C(C)=C(\NC)c1cc(C)nc2c(OCc3c(Cl)cc(C)nc3Cn3cccc(C#N)c3=O)cccc12
InChIInChI=1S/C30H28ClN5O2/c1-6-18(2)28(33-5)23-13-19(3)35-29-22(23)10-7-11-27(29)38-17-24-25(31)14-20(4)34-26(24)16-36-12-8-9-21(15-32)30(36)37/h6-14,33H,1,16-17H2,2-5H3/b28-18-
InChIKeyRWPPZRUBQVFDFX-VEILYXNESA-N
XLogP5.70
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.04
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile (CID 88952829) is 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile is C=C/C(C)=C(\NC)c1cc(C)nc2c(OCc3c(Cl)cc(C)nc3Cn3cccc(C#N)c3=O)cccc12.
What is the InChIKey of 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is RWPPZRUBQVFDFX-VEILYXNESA-N. The full InChI is InChI=1S/C30H28ClN5O2/c1-6-18(2)28(33-5)23-13-19(3)35-29-22(23)10-7-11-27(29)38-17-24-25(31)14-20(4)34-26(24)16-36-12-8-9-21(15-32)30(36)37/h6-14,33H,1,16-17H2,2-5H3/b28-18-.
What are the key properties of 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile?
1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 526.04 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-6-methyl-3-[[2-methyl-4-[(1Z)-2-methyl-1-(methylamino)buta-1,3-dienyl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 88952829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).