7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one

C14H12ClN5O — CID 136827796

IUPAC7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CNCc2cccnn2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H12ClN5O/c15-9-3-4-11-12(6-9)18-13(19-14(11)21)8-16-7-10-2-1-5-17-20-10/h1-6,16H,7-8H2,(H,18,19,21)
InChIKeyRAUDMKZNIBHHCB-UHFFFAOYSA-N
MW301.74 g/mol
LogP1.66
Rot. Bonds4

About 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one

7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one (PubChem CID 136827796) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one
PubChem CID136827796
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CNCc2cccnn2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H12ClN5O/c15-9-3-4-11-12(6-9)18-13(19-14(11)21)8-16-7-10-2-1-5-17-20-10/h1-6,16H,7-8H2,(H,18,19,21)
InChIKeyRAUDMKZNIBHHCB-UHFFFAOYSA-N
XLogP1.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

7-chloro-2-[(1,3-thiazol-5-ylmethylamino)methyl]-3H-quinazolin-4-one
CID 136993685
2-[(but-3-enylamino)methyl]-7-chloro-3H-quinazolin-4-one
CID 137000471
7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one
CID 136952769
7-chloro-2-[(2-methoxypropylamino)methyl]-3H-quinazolin-4-one
CID 136820283
7-chloro-2-[(4-methylsulfanylbutylamino)methyl]-3H-quinazolin-4-one
CID 136930268
7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one
CID 136786642
2-[(2-but-3-enoxyethylamino)methyl]-7-chloro-3H-quinazolin-4-one
CID 136690678
7-chloro-2-(isoquinolin-2-ium-2-ylmethyl)-3H-quinazolin-4-one chloride
CID 135982994
3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methylamino]butanamide
CID 136952206
7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809554
7-chloro-2-[[[(S)-(4-methylphenyl)-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809534
7-chloro-2-[[(1-methylpyrazol-3-yl)amino]methyl]-3H-quinazolin-4-one
CID 136921064

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one (CID 136827796) is 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one is O=c1[nH]c(CNCc2cccnn2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one?
The InChIKey is RAUDMKZNIBHHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c15-9-3-4-11-12(6-9)18-13(19-14(11)21)8-16-7-10-2-1-5-17-20-10/h1-6,16H,7-8H2,(H,18,19,21).
What are the key properties of 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one?
7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one has a molecular weight of 301.74 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136827796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).