4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide

C25H24N4O2 — CID 91970486

IUPAC4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide
SMILESCc1cc(-c2cccc(-c3ncco3)c2)cc2c(NC3CCCC3)c(C(N)=O)cnc12
InChIInChI=1S/C25H24N4O2/c1-15-11-18(16-5-4-6-17(12-16)25-27-9-10-31-25)13-20-22(15)28-14-21(24(26)30)23(20)29-19-7-2-3-8-19/h4-6,9-14,19H,2-3,7-8H2,1H3,(H2,26,30)(H,28,29)
InChIKeyLWQVMGPQORZRKF-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.32
Rot. Bonds5

About 4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide

4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide (PubChem CID 91970486) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide
PubChem CID91970486
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide
SMILESCc1cc(-c2cccc(-c3ncco3)c2)cc2c(NC3CCCC3)c(C(N)=O)cnc12
InChIInChI=1S/C25H24N4O2/c1-15-11-18(16-5-4-6-17(12-16)25-27-9-10-31-25)13-20-22(15)28-14-21(24(26)30)23(20)29-19-7-2-3-8-19/h4-6,9-14,19H,2-3,7-8H2,1H3,(H2,26,30)(H,28,29)
InChIKeyLWQVMGPQORZRKF-UHFFFAOYSA-N
XLogP5.32
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide (CID 91970486) is 4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide is Cc1cc(-c2cccc(-c3ncco3)c2)cc2c(NC3CCCC3)c(C(N)=O)cnc12.
What is the InChIKey of 4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide?
The InChIKey is LWQVMGPQORZRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-15-11-18(16-5-4-6-17(12-16)25-27-9-10-31-25)13-20-22(15)28-14-21(24(26)30)23(20)29-19-7-2-3-8-19/h4-6,9-14,19H,2-3,7-8H2,1H3,(H2,26,30)(H,28,29).
What are the key properties of 4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide?
4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-8-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 91970486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).