6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline

C18H27N5O2S — CID 159739862

IUPAC6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline
SMILESCc1cc2ncnc(N3CCCC(CCNS(N)(=O)=O)CC3)c2cc1C
InChIInChI=1S/C18H27N5O2S/c1-13-10-16-17(11-14(13)2)20-12-21-18(16)23-8-3-4-15(6-9-23)5-7-22-26(19,24)25/h10-12,15,22H,3-9H2,1-2H3,(H2,19,24,25)
InChIKeyNCHVCUZITXNPME-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.04
Rot. Bonds5

About 6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline

6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline (PubChem CID 159739862) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline
PubChem CID159739862
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline
SMILESCc1cc2ncnc(N3CCCC(CCNS(N)(=O)=O)CC3)c2cc1C
InChIInChI=1S/C18H27N5O2S/c1-13-10-16-17(11-14(13)2)20-12-21-18(16)23-8-3-4-15(6-9-23)5-7-22-26(19,24)25/h10-12,15,22H,3-9H2,1-2H3,(H2,19,24,25)
InChIKeyNCHVCUZITXNPME-UHFFFAOYSA-N
XLogP2.04
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinoline
CID 157469584
7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
CID 54583395
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
CID 164991759
3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid
CID 167574720
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid
CID 170032979
4-chloro-6,7-dimethylquinoline-3-carbonitrile;3-cyano-6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinoline;3-cyano-6,7-dimethyl-4-[(4R)-4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinoline;3-cyano-6,7-dimethyl-4-[(4S)-4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinoline;methyl thiohypofluorite;2-(sulfamoylamino)ethylcycloheptane;hydrochloride
CID 158284231
6,7-dimethoxy-4-[4-[3-(sulfamoylamino)propyl]-1,4-diazepan-1-yl]quinazoline
CID 166712968
1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003395
6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
CID 165038150
3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003402

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline?
The IUPAC name of 6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline (CID 159739862) is 6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline.
What is the SMILES notation for 6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline?
The canonical SMILES for 6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline is Cc1cc2ncnc(N3CCCC(CCNS(N)(=O)=O)CC3)c2cc1C.
What is the InChIKey of 6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline?
The InChIKey is NCHVCUZITXNPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-13-10-16-17(11-14(13)2)20-12-21-18(16)23-8-3-4-15(6-9-23)5-7-22-26(19,24)25/h10-12,15,22H,3-9H2,1-2H3,(H2,19,24,25).
What are the key properties of 6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline?
6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline has a molecular weight of 377.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline is sourced from PubChem (CID 159739862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).