2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline

C22H19N5O — CID 58546982

IUPAC2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline
SMILESCOc1cccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)c1
InChIInChI=1S/C22H19N5O/c1-28-18-7-4-6-15(11-18)20-21(24-10-9-23-20)17-13-27(14-17)22-25-12-16-5-2-3-8-19(16)26-22/h2-12,17H,13-14H2,1H3
InChIKeySRGSUXNYDDTNPH-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.70
Rot. Bonds4

About 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline

2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline (PubChem CID 58546982) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline
PubChem CID58546982
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline
SMILESCOc1cccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)c1
InChIInChI=1S/C22H19N5O/c1-28-18-7-4-6-15(11-18)20-21(24-10-9-23-20)17-13-27(14-17)22-25-12-16-5-2-3-8-19(16)26-22/h2-12,17H,13-14H2,1H3
InChIKeySRGSUXNYDDTNPH-UHFFFAOYSA-N
XLogP3.70
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
CID 444617
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6-Methoxyquinazoline
CID 13126887
2-Aminoquinazoline 9
CID 5330308
2-Aminoquinazoline 11
CID 5330310
N2-(2-Methoxyphenethyl)-N4-methyl-N6-(quinolin-6-yl)-1,3,5-triazine-2,4,6-triamine
CID 24767924
6-Methoxy-7-[2-(Quinolin-2-Yl)ethoxy]quinazoline
CID 24945787
2-(1H-imidazol-1-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
CID 44236916
Benzo[c][2,7]naphthyridine, 21
CID 44236918
5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine
CID 134611708

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
The IUPAC name of 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline (CID 58546982) is 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline.
What is the SMILES notation for 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
The canonical SMILES for 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline is COc1cccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
The InChIKey is SRGSUXNYDDTNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-28-18-7-4-6-15(11-18)20-21(24-10-9-23-20)17-13-27(14-17)22-25-12-16-5-2-3-8-19(16)26-22/h2-12,17H,13-14H2,1H3.
What are the key properties of 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline has a molecular weight of 369.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline is sourced from PubChem (CID 58546982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).