4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol

C15H24N4O2 — CID 70786184

IUPAC4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol
SMILESCN(C)c1nc2c(c(N3CCOCC(O)C3)n1)CCCC2
InChIInChI=1S/C15H24N4O2/c1-18(2)15-16-13-6-4-3-5-12(13)14(17-15)19-7-8-21-10-11(20)9-19/h11,20H,3-10H2,1-2H3
InChIKeyQZASAUUIOFWWED-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.62
Rot. Bonds2

About 4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol

4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol (PubChem CID 70786184) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol
PubChem CID70786184
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol
SMILESCN(C)c1nc2c(c(N3CCOCC(O)C3)n1)CCCC2
InChIInChI=1S/C15H24N4O2/c1-18(2)15-16-13-6-4-3-5-12(13)14(17-15)19-7-8-21-10-11(20)9-19/h11,20H,3-10H2,1-2H3
InChIKeyQZASAUUIOFWWED-UHFFFAOYSA-N
XLogP0.62
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-piperidin-1-ylpyrrolidin-3-ol
CID 135101689
[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 156605407
[(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 72890685
(1S,5R)-7-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135088801
N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 74551377
4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 53192899
cyclobutyl-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 70773707
4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 131907453
4-[[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-3-hydroxypiperidin-3-yl]methyl]-1,4-diazepan-2-one
CID 155491860
1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565364
4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde
CID 13073801
4-chloro-6-(6-hydroxy-1,4-oxazepan-4-yl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 176675076

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol?
The IUPAC name of 4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol (CID 70786184) is 4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol?
The canonical SMILES for 4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol is CN(C)c1nc2c(c(N3CCOCC(O)C3)n1)CCCC2.
What is the InChIKey of 4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol?
The InChIKey is QZASAUUIOFWWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(2)15-16-13-6-4-3-5-12(13)14(17-15)19-7-8-21-10-11(20)9-19/h11,20H,3-10H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol?
4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol has a molecular weight of 292.38 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 70786184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).