8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide

C21H19ClN4O2 — CID 97130383

IUPAC8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1cc(-c2ccco2)nc2c(Cl)cccc12)c1cnn(C)c1
InChIInChI=1S/C21H19ClN4O2/c1-3-17(13-11-23-26(2)12-13)25-21(27)15-10-18(19-8-5-9-28-19)24-20-14(15)6-4-7-16(20)22/h4-12,17H,3H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeySKPNAOMRQXNJGI-KRWDZBQOSA-N
MW394.86 g/mol
LogP4.76
Rot. Bonds5

About 8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide

8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide (PubChem CID 97130383) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide
PubChem CID97130383
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1cc(-c2ccco2)nc2c(Cl)cccc12)c1cnn(C)c1
InChIInChI=1S/C21H19ClN4O2/c1-3-17(13-11-23-26(2)12-13)25-21(27)15-10-18(19-8-5-9-28-19)24-20-14(15)6-4-7-16(20)22/h4-12,17H,3H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeySKPNAOMRQXNJGI-KRWDZBQOSA-N
XLogP4.76
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of 8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide (CID 97130383) is 8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for 8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide is CC[C@H](NC(=O)c1cc(-c2ccco2)nc2c(Cl)cccc12)c1cnn(C)c1.
What is the InChIKey of 8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide?
The InChIKey is SKPNAOMRQXNJGI-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-3-17(13-11-23-26(2)12-13)25-21(27)15-10-18(19-8-5-9-28-19)24-20-14(15)6-4-7-16(20)22/h4-12,17H,3H2,1-2H3,(H,25,27)/t17-/m0/s1.
What are the key properties of 8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide?
8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 97130383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).