4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide

C23H23N5O2 — CID 156547134

IUPAC4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide
SMILESCCn1cc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2OC)cn1
InChIInChI=1S/C23H23N5O2/c1-4-28-14-15(12-26-28)17-10-18-20(11-21(17)30-3)25-13-19(23(29)24-2)22(18)27-16-8-6-5-7-9-16/h5-14H,4H2,1-3H3,(H,24,29)(H,25,27)
InChIKeyGNVLLQDWTYUSMS-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.23
Rot. Bonds6

About 4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide

4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide (PubChem CID 156547134) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide
PubChem CID156547134
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide
SMILESCCn1cc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2OC)cn1
InChIInChI=1S/C23H23N5O2/c1-4-28-14-15(12-26-28)17-10-18-20(11-21(17)30-3)25-13-19(23(29)24-2)22(18)27-16-8-6-5-7-9-16/h5-14H,4H2,1-3H3,(H,24,29)(H,25,27)
InChIKeyGNVLLQDWTYUSMS-UHFFFAOYSA-N
XLogP4.23
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide?
The IUPAC name of 4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide (CID 156547134) is 4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide?
The canonical SMILES for 4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide is CCn1cc(-c2cc3c(Nc4ccccc4)c(C(=O)NC)cnc3cc2OC)cn1.
What is the InChIKey of 4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide?
The InChIKey is GNVLLQDWTYUSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-28-14-15(12-26-28)17-10-18-20(11-21(17)30-3)25-13-19(23(29)24-2)22(18)27-16-8-6-5-7-9-16/h5-14H,4H2,1-3H3,(H,24,29)(H,25,27).
What are the key properties of 4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide?
4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 156547134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).