N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide

C20H27N5O2 — CID 135448072

IUPACN-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide
SMILESCCCC(=O)NC(=Nc1nc(C)c2cc(C)cc(C)c2n1)NC(=O)CCC
InChIInChI=1S/C20H27N5O2/c1-6-8-16(26)22-20(23-17(27)9-7-2)25-19-21-14(5)15-11-12(3)10-13(4)18(15)24-19/h10-11H,6-9H2,1-5H3,(H2,21,22,23,24,25,26,27)
InChIKeyUFHAIWRJVBYFQU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.38
Rot. Bonds5

About N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide

N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide (PubChem CID 135448072) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide.

Molecular Properties

Compound NameN-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide
PubChem CID135448072
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide
SMILESCCCC(=O)NC(=Nc1nc(C)c2cc(C)cc(C)c2n1)NC(=O)CCC
InChIInChI=1S/C20H27N5O2/c1-6-8-16(26)22-20(23-17(27)9-7-2)25-19-21-14(5)15-11-12(3)10-13(4)18(15)24-19/h10-11H,6-9H2,1-5H3,(H2,21,22,23,24,25,26,27)
InChIKeyUFHAIWRJVBYFQU-UHFFFAOYSA-N
XLogP3.38
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide?
The IUPAC name of N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide (CID 135448072) is N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide.
What is the SMILES notation for N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide?
The canonical SMILES for N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide is CCCC(=O)NC(=Nc1nc(C)c2cc(C)cc(C)c2n1)NC(=O)CCC.
What is the InChIKey of N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide?
The InChIKey is UFHAIWRJVBYFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-6-8-16(26)22-20(23-17(27)9-7-2)25-19-21-14(5)15-11-12(3)10-13(4)18(15)24-19/h10-11H,6-9H2,1-5H3,(H2,21,22,23,24,25,26,27).
What are the key properties of N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide?
N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide has a molecular weight of 369.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-butanoyl-N'-(4,6,8-trimethylquinazolin-2-yl)carbamimidoyl]butanamide is sourced from PubChem (CID 135448072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).