2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine

C17H25N5 — CID 160817800

IUPAC2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine
SMILESCc1cc2ncnc(N3CCCN(CCN)CC3)c2cc1C
InChIInChI=1S/C17H25N5/c1-13-10-15-16(11-14(13)2)19-12-20-17(15)22-6-3-5-21(7-4-18)8-9-22/h10-12H,3-9,18H2,1-2H3
InChIKeySFDCATHNEJNCNZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.72
Rot. Bonds3

About 2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine

2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine (PubChem CID 160817800) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine
PubChem CID160817800
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine
SMILESCc1cc2ncnc(N3CCCN(CCN)CC3)c2cc1C
InChIInChI=1S/C17H25N5/c1-13-10-15-16(11-14(13)2)19-12-20-17(15)22-6-3-5-21(7-4-18)8-9-22/h10-12H,3-9,18H2,1-2H3
InChIKeySFDCATHNEJNCNZ-UHFFFAOYSA-N
XLogP1.72
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 62833677
6,7-dimethoxy-4-[4-[3-(sulfamoylamino)propyl]-1,4-diazepan-1-yl]quinazoline
CID 166712968
7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline
CID 86933291
2-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethylsulfamic acid;hydrochloride
CID 166071329
4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-methylquinazoline
CID 112843812
3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870068
6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline
CID 159739862
2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66331325
2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 66318119
2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 61225493
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline
CID 154757784

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The IUPAC name of 2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine (CID 160817800) is 2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine is Cc1cc2ncnc(N3CCCN(CCN)CC3)c2cc1C.
What is the InChIKey of 2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The InChIKey is SFDCATHNEJNCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-10-15-16(11-14(13)2)19-12-20-17(15)22-6-3-5-21(7-4-18)8-9-22/h10-12H,3-9,18H2,1-2H3.
What are the key properties of 2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine?
2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine has a molecular weight of 299.42 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine is sourced from PubChem (CID 160817800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).