7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline

C15H19ClN4 — CID 86933291

IUPAC7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline
SMILESCCN1CCCN(c2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H19ClN4/c1-2-19-6-3-7-20(9-8-19)15-13-5-4-12(16)10-14(13)17-11-18-15/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyWEZXPMHNCXFVDW-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.82
Rot. Bonds2

About 7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline

7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline (PubChem CID 86933291) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline.

Molecular Properties

Compound Name7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline
PubChem CID86933291
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline
SMILESCCN1CCCN(c2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H19ClN4/c1-2-19-6-3-7-20(9-8-19)15-13-5-4-12(16)10-14(13)17-11-18-15/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyWEZXPMHNCXFVDW-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 86860791
7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423
2-[4-(7-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]benzonitrile
CID 87014827
4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-methylquinazoline
CID 112843812
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508
2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 160817800
4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine
CID 87015234
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
1-[4-(7-chloroquinazolin-4-yl)-2-methylpiperazin-1-yl]propan-1-one
CID 135188333
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline?
The IUPAC name of 7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline (CID 86933291) is 7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline.
What is the SMILES notation for 7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline?
The canonical SMILES for 7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline is CCN1CCCN(c2ncnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline?
The InChIKey is WEZXPMHNCXFVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-2-19-6-3-7-20(9-8-19)15-13-5-4-12(16)10-14(13)17-11-18-15/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of 7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline?
7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline has a molecular weight of 290.80 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline is sourced from PubChem (CID 86933291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).