4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline

C20H23N5O — CID 175876083

IUPAC4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline
SMILESCOc1ccc(-c2ccc3ncnc(N4[C@H](C)CNC[C@@H]4C)c3c2)cn1
InChIInChI=1S/C20H23N5O/c1-13-9-21-10-14(2)25(13)20-17-8-15(4-6-18(17)23-12-24-20)16-5-7-19(26-3)22-11-16/h4-8,11-14,21H,9-10H2,1-3H3/t13-,14+
InChIKeyDAPIDYONHRGHOC-OKILXGFUSA-N
MW349.44 g/mol
LogP2.89
Rot. Bonds3

About 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline

4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline (PubChem CID 175876083) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline
PubChem CID175876083
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline
SMILESCOc1ccc(-c2ccc3ncnc(N4[C@H](C)CNC[C@@H]4C)c3c2)cn1
InChIInChI=1S/C20H23N5O/c1-13-9-21-10-14(2)25(13)20-17-8-15(4-6-18(17)23-12-24-20)16-5-7-19(26-3)22-11-16/h4-8,11-14,21H,9-10H2,1-3H3/t13-,14+
InChIKeyDAPIDYONHRGHOC-OKILXGFUSA-N
XLogP2.89
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline with MolForge

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Related Compounds

6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline
CID 175875955
6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
CID 141419886
7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 58416402
(2S)-2-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one
CID 175431206
[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 78107764
[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone
CID 123471694
4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene
CID 135285910
2-methoxy-4-(6-methoxy-3-pyridinyl)-N-methylaniline
CID 170114993
6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole
CID 11772050
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 161469747
6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 10450377

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline (CID 175876083) is 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline is COc1ccc(-c2ccc3ncnc(N4[C@H](C)CNC[C@@H]4C)c3c2)cn1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline?
The InChIKey is DAPIDYONHRGHOC-OKILXGFUSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-9-21-10-14(2)25(13)20-17-8-15(4-6-18(17)23-12-24-20)16-5-7-19(26-3)22-11-16/h4-8,11-14,21H,9-10H2,1-3H3/t13-,14+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline?
4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline has a molecular weight of 349.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline is sourced from PubChem (CID 175876083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).