pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate

C23H20N6O3 — CID 69487986

IUPACpyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate
SMILESCc1cc(N)c2cc(NC(=O)c3ccc(CNC(=O)Oc4cnccn4)cc3)ccc2n1
InChIInChI=1S/C23H20N6O3/c1-14-10-19(24)18-11-17(6-7-20(18)28-14)29-22(30)16-4-2-15(3-5-16)12-27-23(31)32-21-13-25-8-9-26-21/h2-11,13H,12H2,1H3,(H2,24,28)(H,27,31)(H,29,30)
InChIKeyHKYNAJNRSUILOU-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.46
Rot. Bonds5

About pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate

pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 69487986) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate
PubChem CID69487986
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Namepyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate
SMILESCc1cc(N)c2cc(NC(=O)c3ccc(CNC(=O)Oc4cnccn4)cc3)ccc2n1
InChIInChI=1S/C23H20N6O3/c1-14-10-19(24)18-11-17(6-7-20(18)28-14)29-22(30)16-4-2-15(3-5-16)12-27-23(31)32-21-13-25-8-9-26-21/h2-11,13H,12H2,1H3,(H2,24,28)(H,27,31)(H,29,30)
InChIKeyHKYNAJNRSUILOU-UHFFFAOYSA-N
XLogP3.46
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate (CID 69487986) is pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate is Cc1cc(N)c2cc(NC(=O)c3ccc(CNC(=O)Oc4cnccn4)cc3)ccc2n1.
What is the InChIKey of pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is HKYNAJNRSUILOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-14-10-19(24)18-11-17(6-7-20(18)28-14)29-22(30)16-4-2-15(3-5-16)12-27-23(31)32-21-13-25-8-9-26-21/h2-11,13H,12H2,1H3,(H2,24,28)(H,27,31)(H,29,30).
What are the key properties of pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate?
pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 428.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl N-[[4-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 69487986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).