(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone

C19H28N4O3 — CID 133117489

IUPAC(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1nc(N)nc3c1CCCC3)CC2
InChIInChI=1S/C19H28N4O3/c1-2-26-15-11-14(24)19(15)7-9-23(10-8-19)17(25)16-12-5-3-4-6-13(12)21-18(20)22-16/h14-15,24H,2-11H2,1H3,(H2,20,21,22)/t14-,15+/m0/s1
InChIKeyAAYWXZGGEGUINX-LSDHHAIUSA-N
MW360.46 g/mol
LogP1.33
Rot. Bonds3

About (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone

(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 133117489) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID133117489
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1nc(N)nc3c1CCCC3)CC2
InChIInChI=1S/C19H28N4O3/c1-2-26-15-11-14(24)19(15)7-9-23(10-8-19)17(25)16-12-5-3-4-6-13(12)21-18(20)22-16/h14-15,24H,2-11H2,1H3,(H2,20,21,22)/t14-,15+/m0/s1
InChIKeyAAYWXZGGEGUINX-LSDHHAIUSA-N
XLogP1.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone with MolForge

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Related Compounds

9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72855403
(1-aminocyclopentyl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119367
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-4-yl)methanone
CID 71929955
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97216105
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
CID 97100846
(3-chlorophenyl)-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 111456862
(5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97216107
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-methylfuran-2-yl)methanone
CID 97100801
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97216206

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone (CID 133117489) is (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone is CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1nc(N)nc3c1CCCC3)CC2.
What is the InChIKey of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is AAYWXZGGEGUINX-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-2-26-15-11-14(24)19(15)7-9-23(10-8-19)17(25)16-12-5-3-4-6-13(12)21-18(20)22-16/h14-15,24H,2-11H2,1H3,(H2,20,21,22)/t14-,15+/m0/s1.
What are the key properties of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 133117489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).