(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

C18H27N5O2 — CID 135088801

IUPAC(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
SMILESCN(C)c1nc2c(c(N3C[C@@H]4COC[C@H](C3)N(C)C4=O)n1)CCCC2
InChIInChI=1S/C18H27N5O2/c1-21(2)18-19-15-7-5-4-6-14(15)16(20-18)23-8-12-10-25-11-13(9-23)22(3)17(12)24/h12-13H,4-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyQBKUVGFVBSGGAU-OLZOCXBDSA-N
MW345.45 g/mol
LogP0.71
Rot. Bonds2

About (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

(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 (PubChem CID 135088801) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135088801
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(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
SMILESCN(C)c1nc2c(c(N3C[C@@H]4COC[C@H](C3)N(C)C4=O)n1)CCCC2
InChIInChI=1S/C18H27N5O2/c1-21(2)18-19-15-7-5-4-6-14(15)16(20-18)23-8-12-10-25-11-13(9-23)22(3)17(12)24/h12-13H,4-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyQBKUVGFVBSGGAU-OLZOCXBDSA-N
XLogP0.71
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol
CID 70786184
(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)-9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155912657
(1S,5R)-9-methyl-7-thieno[3,2-d]pyrimidin-4-yl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135112256
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
(1S,5R)-9-methyl-7-(5-propylpyrimidin-2-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135109463
formic acid;(1S,5R)-9-methyl-7-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 154916287
(1S,5R)-7-(6-aminopyridine-2-carbonyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155910844
(1S,5R)-9-methyl-7-(2,4,6-trimethylbenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135091379
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN(C)c1nc2c(c(N3C[C@@H]4COC[C@H](C3)N(C)C4=O)n1)CCCC2.
What is the InChIKey of (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?
The InChIKey is QBKUVGFVBSGGAU-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-21(2)18-19-15-7-5-4-6-14(15)16(20-18)23-8-12-10-25-11-13(9-23)22(3)17(12)24/h12-13H,4-11H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 345.45 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135088801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).