(9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

C18H25N5O — CID 95200575

IUPAC(9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCOc1ccc2c(C)nc(N3CCN4CCN(C)C[C@@H]4C3)nc2c1
InChIInChI=1S/C18H25N5O/c1-13-16-5-4-15(24-3)10-17(16)20-18(19-13)23-9-8-22-7-6-21(2)11-14(22)12-23/h4-5,10,14H,6-9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyZQMFTDNBOOXZGI-CQSZACIVSA-N
MW327.43 g/mol
LogP1.38
Rot. Bonds2

About (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

(9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (PubChem CID 95200575) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
PubChem CID95200575
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCOc1ccc2c(C)nc(N3CCN4CCN(C)C[C@@H]4C3)nc2c1
InChIInChI=1S/C18H25N5O/c1-13-16-5-4-15(24-3)10-17(16)20-18(19-13)23-9-8-22-7-6-21(2)11-14(22)12-23/h4-5,10,14H,6-9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyZQMFTDNBOOXZGI-CQSZACIVSA-N
XLogP1.38
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline
CID 95202338
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone
CID 45185896
(3R)-N-(2-methoxyethyl)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 26278572
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 126464393
1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one
CID 42164315
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
CID 118755161
3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56703648
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine
CID 45192252
N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine
CID 658255
(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 42190788
[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42248070

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The IUPAC name of (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (CID 95200575) is (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.
What is the SMILES notation for (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The canonical SMILES for (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is COc1ccc2c(C)nc(N3CCN4CCN(C)C[C@@H]4C3)nc2c1.
What is the InChIKey of (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The InChIKey is ZQMFTDNBOOXZGI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-16-5-4-15(24-3)10-17(16)20-18(19-13)23-9-8-22-7-6-21(2)11-14(22)12-23/h4-5,10,14H,6-9,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
(9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine has a molecular weight of 327.43 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is sourced from PubChem (CID 95200575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).