4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide

C19H28N4O — CID 14012369

IUPAC4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide
SMILESCCCCNc1c(C(=O)NCCC)nnc2c(CCC)cccc12
InChIInChI=1S/C19H28N4O/c1-4-7-13-20-17-15-11-8-10-14(9-5-2)16(15)22-23-18(17)19(24)21-12-6-3/h8,10-11H,4-7,9,12-13H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyBXPHKCZGQFRYOA-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.93
Rot. Bonds9

About 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide

4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide (PubChem CID 14012369) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide
PubChem CID14012369
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide
SMILESCCCCNc1c(C(=O)NCCC)nnc2c(CCC)cccc12
InChIInChI=1S/C19H28N4O/c1-4-7-13-20-17-15-11-8-10-14(9-5-2)16(15)22-23-18(17)19(24)21-12-6-3/h8,10-11H,4-7,9,12-13H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyBXPHKCZGQFRYOA-UHFFFAOYSA-N
XLogP3.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide?
The IUPAC name of 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide (CID 14012369) is 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide.
What is the SMILES notation for 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide?
The canonical SMILES for 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide is CCCCNc1c(C(=O)NCCC)nnc2c(CCC)cccc12.
What is the InChIKey of 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide?
The InChIKey is BXPHKCZGQFRYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-7-13-20-17-15-11-8-10-14(9-5-2)16(15)22-23-18(17)19(24)21-12-6-3/h8,10-11H,4-7,9,12-13H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide?
4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide is sourced from PubChem (CID 14012369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).