2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride

C19H29ClN6O3 — CID 70517506

IUPAC2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride
SMILESCNC(=O)C(C)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1.Cl
InChIInChI=1S/C19H28N6O3.ClH/c1-12(18(26)21-2)24-6-5-7-25(9-8-24)19-22-14-11-16(28-4)15(27-3)10-13(14)17(20)23-19;/h10-12H,5-9H2,1-4H3,(H,21,26)(H2,20,22,23);1H
InChIKeyMWTFGFSXCYXIKM-UHFFFAOYSA-N
MW424.93 g/mol
LogP1.30
Rot. Bonds5

About 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride

2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride (PubChem CID 70517506) has the molecular formula C19H29ClN6O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride
PubChem CID70517506
Molecular FormulaC19H29ClN6O3
Molecular Weight424.93 g/mol
Exact Mass424.20
IUPAC Name2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride
SMILESCNC(=O)C(C)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1.Cl
InChIInChI=1S/C19H28N6O3.ClH/c1-12(18(26)21-2)24-6-5-7-25(9-8-24)19-22-14-11-16(28-4)15(27-3)10-13(14)17(20)23-19;/h10-12H,5-9H2,1-4H3,(H,21,26)(H2,20,22,23);1H
InChIKeyMWTFGFSXCYXIKM-UHFFFAOYSA-N
XLogP1.30
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride 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

CID 163462957
CID 163462957
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one;hydron;chloride
CID 45108257
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
CID 163462958
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 45259834
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrobromide;hydrochloride
CID 140517129
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]pent-2-en-1-one
CID 12837101
1,7-bis[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3,3,5,5-tetramethylheptane-1,7-dione
CID 137398803
5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid
CID 91810601

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride?
The IUPAC name of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride (CID 70517506) is 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride is CNC(=O)C(C)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1.Cl.
What is the InChIKey of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride?
The InChIKey is MWTFGFSXCYXIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3.ClH/c1-12(18(26)21-2)24-6-5-7-25(9-8-24)19-22-14-11-16(28-4)15(27-3)10-13(14)17(20)23-19;/h10-12H,5-9H2,1-4H3,(H,21,26)(H2,20,22,23);1H.
What are the key properties of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride?
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride has a molecular weight of 424.93 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 70517506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).