3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline

C24H25N5 — CID 174710678

IUPAC3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline
SMILESC[C@H]1CN(c2ccccn2)CCN1N1Cc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C24H25N5/c1-19-17-27(23-13-7-8-14-25-23)15-16-28(19)29-18-21-11-5-6-12-22(21)26-24(29)20-9-3-2-4-10-20/h2-14,19H,15-18H2,1H3/t19-/m0/s1
InChIKeyFLJBWGMWNYBDDX-IBGZPJMESA-N
MW383.50 g/mol
LogP4.10
Rot. Bonds3

About 3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline

3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline (PubChem CID 174710678) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline.

Molecular Properties

Compound Name3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline
PubChem CID174710678
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline
SMILESC[C@H]1CN(c2ccccn2)CCN1N1Cc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C24H25N5/c1-19-17-27(23-13-7-8-14-25-23)15-16-28(19)29-18-21-11-5-6-12-22(21)26-24(29)20-9-3-2-4-10-20/h2-14,19H,15-18H2,1H3/t19-/m0/s1
InChIKeyFLJBWGMWNYBDDX-IBGZPJMESA-N
XLogP4.10
TPSA34.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline?
The IUPAC name of 3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline (CID 174710678) is 3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline.
What is the SMILES notation for 3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline?
The canonical SMILES for 3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline is C[C@H]1CN(c2ccccn2)CCN1N1Cc2ccccc2N=C1c1ccccc1.
What is the InChIKey of 3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline?
The InChIKey is FLJBWGMWNYBDDX-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25N5/c1-19-17-27(23-13-7-8-14-25-23)15-16-28(19)29-18-21-11-5-6-12-22(21)26-24(29)20-9-3-2-4-10-20/h2-14,19H,15-18H2,1H3/t19-/m0/s1.
What are the key properties of 3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline?
3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline has a molecular weight of 383.50 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]-2-phenyl-4H-quinazoline is sourced from PubChem (CID 174710678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).