6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline

C20H22N4 — CID 143607812

IUPAC6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline
SMILESCc1cc2ncnc(N3CCN[C@H](c4ccccc4)C3)c2cc1C
InChIInChI=1S/C20H22N4/c1-14-10-17-18(11-15(14)2)22-13-23-20(17)24-9-8-21-19(12-24)16-6-4-3-5-7-16/h3-7,10-11,13,19,21H,8-9,12H2,1-2H3/t19-/m0/s1
InChIKeyNWFFIAVYZUWNRF-IBGZPJMESA-N
MW318.42 g/mol
LogP3.40
Rot. Bonds2

About 6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline

6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline (PubChem CID 143607812) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline
PubChem CID143607812
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline
SMILESCc1cc2ncnc(N3CCN[C@H](c4ccccc4)C3)c2cc1C
InChIInChI=1S/C20H22N4/c1-14-10-17-18(11-15(14)2)22-13-23-20(17)24-9-8-21-19(12-24)16-6-4-3-5-7-16/h3-7,10-11,13,19,21H,8-9,12H2,1-2H3/t19-/m0/s1
InChIKeyNWFFIAVYZUWNRF-IBGZPJMESA-N
XLogP3.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline
CID 97153563
4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine
CID 97145608
4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline
CID 154757784
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621
5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
CID 16740447
1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine
CID 64952389
[6,7-dimethoxy-4-(3-phenylpiperazin-1-yl)quinazolin-2-yl] 2,2,2-trifluoroacetate
CID 140519406
5-ethyl-4-[(3R)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192130
5-ethyl-4-(3-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 72862152
5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192131
4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
CID 166271344
2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline
CID 141195742

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline?
The IUPAC name of 6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline (CID 143607812) is 6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline?
The canonical SMILES for 6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline is Cc1cc2ncnc(N3CCN[C@H](c4ccccc4)C3)c2cc1C.
What is the InChIKey of 6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline?
The InChIKey is NWFFIAVYZUWNRF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N4/c1-14-10-17-18(11-15(14)2)22-13-23-20(17)24-9-8-21-19(12-24)16-6-4-3-5-7-16/h3-7,10-11,13,19,21H,8-9,12H2,1-2H3/t19-/m0/s1.
What are the key properties of 6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline?
6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline has a molecular weight of 318.42 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 143607812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).