N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide

C23H28N4O — CID 46994577

IUPACN,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cnc(CCC(C)C)nc3)c(C)c(C(=O)N(C)C)c2c1
InChIInChI=1S/C23H28N4O/c1-14(2)7-10-20-24-12-17(13-25-20)22-16(4)21(23(28)27(5)6)18-11-15(3)8-9-19(18)26-22/h8-9,11-14H,7,10H2,1-6H3
InChIKeyNOSYNPSKLQSHTA-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.60
Rot. Bonds5

About N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide

N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide (PubChem CID 46994577) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide
PubChem CID46994577
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cnc(CCC(C)C)nc3)c(C)c(C(=O)N(C)C)c2c1
InChIInChI=1S/C23H28N4O/c1-14(2)7-10-20-24-12-17(13-25-20)22-16(4)21(23(28)27(5)6)18-11-15(3)8-9-19(18)26-22/h8-9,11-14H,7,10H2,1-6H3
InChIKeyNOSYNPSKLQSHTA-UHFFFAOYSA-N
XLogP4.60
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide?
The IUPAC name of N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide (CID 46994577) is N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide.
What is the SMILES notation for N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide?
The canonical SMILES for N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide is Cc1ccc2nc(-c3cnc(CCC(C)C)nc3)c(C)c(C(=O)N(C)C)c2c1.
What is the InChIKey of N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide?
The InChIKey is NOSYNPSKLQSHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-14(2)7-10-20-24-12-17(13-25-20)22-16(4)21(23(28)27(5)6)18-11-15(3)8-9-19(18)26-22/h8-9,11-14H,7,10H2,1-6H3.
What are the key properties of N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide?
N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,6-tetramethyl-2-[2-(3-methylbutyl)pyrimidin-5-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46994577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).