N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide

C10H9BrN4O — CID 174483755

IUPACN-[(3-amino-7-bromoquinolin-4-yl)amino]formamide
SMILESNc1cnc2cc(Br)ccc2c1NNC=O
InChIInChI=1S/C10H9BrN4O/c11-6-1-2-7-9(3-6)13-4-8(12)10(7)15-14-5-16/h1-5H,12H2,(H,13,15)(H,14,16)
InChIKeyCWRIDBKDGDHKOP-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.65
Rot. Bonds3

About N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide

N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide (PubChem CID 174483755) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide.

Molecular Properties

Compound NameN-[(3-amino-7-bromoquinolin-4-yl)amino]formamide
PubChem CID174483755
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC NameN-[(3-amino-7-bromoquinolin-4-yl)amino]formamide
SMILESNc1cnc2cc(Br)ccc2c1NNC=O
InChIInChI=1S/C10H9BrN4O/c11-6-1-2-7-9(3-6)13-4-8(12)10(7)15-14-5-16/h1-5H,12H2,(H,13,15)(H,14,16)
InChIKeyCWRIDBKDGDHKOP-UHFFFAOYSA-N
XLogP1.65
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide?
The IUPAC name of N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide (CID 174483755) is N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide.
What is the SMILES notation for N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide?
The canonical SMILES for N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide is Nc1cnc2cc(Br)ccc2c1NNC=O.
What is the InChIKey of N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide?
The InChIKey is CWRIDBKDGDHKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-6-1-2-7-9(3-6)13-4-8(12)10(7)15-14-5-16/h1-5H,12H2,(H,13,15)(H,14,16).
What are the key properties of N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide?
N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide has a molecular weight of 281.11 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide is sourced from PubChem (CID 174483755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).