8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide

C14H15ClN2O — CID 53016159

IUPAC8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)c2cccc(Cl)c2n1
InChIInChI=1S/C14H15ClN2O/c1-8(2)16-14(18)11-7-9(3)17-13-10(11)5-4-6-12(13)15/h4-8H,1-3H3,(H,16,18)
InChIKeyUCPFHUWSDXVYCO-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.33
Rot. Bonds2

About 8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide

8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 53016159) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide
PubChem CID53016159
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)c2cccc(Cl)c2n1
InChIInChI=1S/C14H15ClN2O/c1-8(2)16-14(18)11-7-9(3)17-13-10(11)5-4-6-12(13)15/h4-8H,1-3H3,(H,16,18)
InChIKeyUCPFHUWSDXVYCO-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide (CID 53016159) is 8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide is Cc1cc(C(=O)NC(C)C)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is UCPFHUWSDXVYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-8(2)16-14(18)11-7-9(3)17-13-10(11)5-4-6-12(13)15/h4-8H,1-3H3,(H,16,18).
What are the key properties of 8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide?
8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 53016159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).