4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide

C24H29N5O3 — CID 162661735

IUPAC4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide
SMILESCNC(=O)c1cnc2cc(OC)c(OCN3CCN(C)CC3)cc2c1Nc1ccccc1
InChIInChI=1S/C24H29N5O3/c1-25-24(30)19-15-26-20-14-21(31-3)22(32-16-29-11-9-28(2)10-12-29)13-18(20)23(19)27-17-7-5-4-6-8-17/h4-8,13-15H,9-12,16H2,1-3H3,(H,25,30)(H,26,27)
InChIKeyCVNZXTIUJUZTOU-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.93
Rot. Bonds7

About 4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide

4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide (PubChem CID 162661735) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide
PubChem CID162661735
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide
SMILESCNC(=O)c1cnc2cc(OC)c(OCN3CCN(C)CC3)cc2c1Nc1ccccc1
InChIInChI=1S/C24H29N5O3/c1-25-24(30)19-15-26-20-14-21(31-3)22(32-16-29-11-9-28(2)10-12-29)13-18(20)23(19)27-17-7-5-4-6-8-17/h4-8,13-15H,9-12,16H2,1-3H3,(H,25,30)(H,26,27)
InChIKeyCVNZXTIUJUZTOU-UHFFFAOYSA-N
XLogP2.93
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide?
The IUPAC name of 4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide (CID 162661735) is 4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide?
The canonical SMILES for 4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide is CNC(=O)c1cnc2cc(OC)c(OCN3CCN(C)CC3)cc2c1Nc1ccccc1.
What is the InChIKey of 4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide?
The InChIKey is CVNZXTIUJUZTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-25-24(30)19-15-26-20-14-21(31-3)22(32-16-29-11-9-28(2)10-12-29)13-18(20)23(19)27-17-7-5-4-6-8-17/h4-8,13-15H,9-12,16H2,1-3H3,(H,25,30)(H,26,27).
What are the key properties of 4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide?
4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide is sourced from PubChem (CID 162661735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).