4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline

C18H19N5 — CID 3234578

IUPAC4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline
SMILESCN1CCN(c2ncnc3ccc(-c4cccnc4)cc23)CC1
InChIInChI=1S/C18H19N5/c1-22-7-9-23(10-8-22)18-16-11-14(15-3-2-6-19-12-15)4-5-17(16)20-13-21-18/h2-6,11-13H,7-10H2,1H3
InChIKeyMDCLMFLFAKHOEI-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.44
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline

4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline (PubChem CID 3234578) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline
PubChem CID3234578
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline
SMILESCN1CCN(c2ncnc3ccc(-c4cccnc4)cc23)CC1
InChIInChI=1S/C18H19N5/c1-22-7-9-23(10-8-22)18-16-11-14(15-3-2-6-19-12-15)4-5-17(16)20-13-21-18/h2-6,11-13H,7-10H2,1H3
InChIKeyMDCLMFLFAKHOEI-UHFFFAOYSA-N
XLogP2.44
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline (CID 3234578) is 4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline is CN1CCN(c2ncnc3ccc(-c4cccnc4)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline?
The InChIKey is MDCLMFLFAKHOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-22-7-9-23(10-8-22)18-16-11-14(15-3-2-6-19-12-15)4-5-17(16)20-13-21-18/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline?
4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline has a molecular weight of 305.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-pyridin-3-ylquinazoline is sourced from PubChem (CID 3234578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).