6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline

C19H21N5O — CID 175875955

IUPAC6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline
SMILESCOc1ccc(-c2ccc3ncnc(N4CCNCC4C)c3c2)cn1
InChIInChI=1S/C19H21N5O/c1-13-10-20-7-8-24(13)19-16-9-14(3-5-17(16)22-12-23-19)15-4-6-18(25-2)21-11-15/h3-6,9,11-13,20H,7-8,10H2,1-2H3
InChIKeyWCPNUPIGPSAHQN-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.50
Rot. Bonds3

About 6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline

6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline (PubChem CID 175875955) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline
PubChem CID175875955
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline
SMILESCOc1ccc(-c2ccc3ncnc(N4CCNCC4C)c3c2)cn1
InChIInChI=1S/C19H21N5O/c1-13-10-20-7-8-24(13)19-16-9-14(3-5-17(16)22-12-23-19)15-4-6-18(25-2)21-11-15/h3-6,9,11-13,20H,7-8,10H2,1-2H3
InChIKeyWCPNUPIGPSAHQN-UHFFFAOYSA-N
XLogP2.50
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline (CID 175875955) is 6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline is COc1ccc(-c2ccc3ncnc(N4CCNCC4C)c3c2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline?
The InChIKey is WCPNUPIGPSAHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-10-20-7-8-24(13)19-16-9-14(3-5-17(16)22-12-23-19)15-4-6-18(25-2)21-11-15/h3-6,9,11-13,20H,7-8,10H2,1-2H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline?
6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline has a molecular weight of 335.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 175875955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).