7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one

C15H20ClN3O2 — CID 136786642

IUPAC7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one
SMILESCOCCCCCNCc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C15H20ClN3O2/c1-21-8-4-2-3-7-17-10-14-18-13-9-11(16)5-6-12(13)15(20)19-14/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,18,19,20)
InChIKeyXAYJVMOCGONAPM-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.48
Rot. Bonds8

About 7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one

7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one (PubChem CID 136786642) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one
PubChem CID136786642
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one
SMILESCOCCCCCNCc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C15H20ClN3O2/c1-21-8-4-2-3-7-17-10-14-18-13-9-11(16)5-6-12(13)15(20)19-14/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,18,19,20)
InChIKeyXAYJVMOCGONAPM-UHFFFAOYSA-N
XLogP2.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.48
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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Related Compounds

7-chloro-2-[(4-methylsulfanylbutylamino)methyl]-3H-quinazolin-4-one
CID 136930268
7-chloro-2-[(2-methoxypropylamino)methyl]-3H-quinazolin-4-one
CID 136820283
2-[(but-3-enylamino)methyl]-7-chloro-3H-quinazolin-4-one
CID 137000471
2-[(2-but-3-enoxyethylamino)methyl]-7-chloro-3H-quinazolin-4-one
CID 136690678
7-chloro-2-[(1,3-thiazol-5-ylmethylamino)methyl]-3H-quinazolin-4-one
CID 136993685
7-chloro-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136786648
7-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-3H-quinazolin-4-one
CID 136952769
7-chloro-2-[(pyridazin-3-ylmethylamino)methyl]-3H-quinazolin-4-one
CID 136827796
7-chloro-2-[(1-ethylsulfanylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136954266
3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methylamino]butanamide
CID 136952206
2-[[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]methyl]-7-chloro-3H-quinazolin-4-one
CID 135912359
7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809554

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one (CID 136786642) is 7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one is COCCCCCNCc1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of 7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one?
The InChIKey is XAYJVMOCGONAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-21-8-4-2-3-7-17-10-14-18-13-9-11(16)5-6-12(13)15(20)19-14/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,18,19,20).
What are the key properties of 7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one?
7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one has a molecular weight of 309.80 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(5-methoxypentylamino)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136786642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).