(8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one

C18H17N5O2 — CID 102520440

IUPAC(8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one
SMILESCOc1ccc(Nc2ncnc3cc4c(cc23)NC(=O)[C@H](C)N4)cc1
InChIInChI=1S/C18H17N5O2/c1-10-18(24)23-15-7-13-14(8-16(15)21-10)19-9-20-17(13)22-11-3-5-12(25-2)6-4-11/h3-10,21H,1-2H3,(H,23,24)(H,19,20,22)/t10-/m0/s1
InChIKeyCWDPHRXJULBTBL-JTQLQIEISA-N
MW335.37 g/mol
LogP3.13
Rot. Bonds3

About (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one

(8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one (PubChem CID 102520440) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one.

Molecular Properties

Compound Name(8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one
PubChem CID102520440
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one
SMILESCOc1ccc(Nc2ncnc3cc4c(cc23)NC(=O)[C@H](C)N4)cc1
InChIInChI=1S/C18H17N5O2/c1-10-18(24)23-15-7-13-14(8-16(15)21-10)19-9-20-17(13)22-11-3-5-12(25-2)6-4-11/h3-10,21H,1-2H3,(H,23,24)(H,19,20,22)/t10-/m0/s1
InChIKeyCWDPHRXJULBTBL-JTQLQIEISA-N
XLogP3.13
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one with MolForge

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Related Compounds

N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 22619823
1-(3,4-dichlorophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]urea
CID 44569611
(E)-3-(3,5-dimethoxyphenyl)-1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-en-1-one
CID 155811238
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
CID 12843607
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 71188369
N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine
CID 154673012
8-(4-methoxyanilino)-3-(2-methylpropyl)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 102381738
7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine
CID 141331547
N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
CID 164577998
2-[4-[(7-methoxyquinazolin-4-yl)amino]phenyl]ethylphosphonic acid
CID 155033674

Frequently Asked Questions

What is the IUPAC name of (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one?
The IUPAC name of (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one (CID 102520440) is (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one.
What is the SMILES notation for (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one?
The canonical SMILES for (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one is COc1ccc(Nc2ncnc3cc4c(cc23)NC(=O)[C@H](C)N4)cc1.
What is the InChIKey of (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one?
The InChIKey is CWDPHRXJULBTBL-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17N5O2/c1-10-18(24)23-15-7-13-14(8-16(15)21-10)19-9-20-17(13)22-11-3-5-12(25-2)6-4-11/h3-10,21H,1-2H3,(H,23,24)(H,19,20,22)/t10-/m0/s1.
What are the key properties of (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one?
(8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one has a molecular weight of 335.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-4-(4-methoxyanilino)-8-methyl-8,9-dihydro-6H-pyrazino[2,3-g]quinazolin-7-one is sourced from PubChem (CID 102520440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).