2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide

C24H19N5O2 — CID 89347943

IUPAC2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OC)cc12
InChIInChI=1S/C24H19N5O2/c1-3-12-26-24(30)18-8-4-5-9-20(18)28-23-19-14-17(31-2)10-11-21(19)27-22(29-23)16-7-6-13-25-15-16/h1,4-11,13-15H,12H2,2H3,(H,26,30)(H,27,28,29)
InChIKeyXVUDCQYCDXNQLF-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.81
Rot. Bonds6

About 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide

2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide (PubChem CID 89347943) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
PubChem CID89347943
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OC)cc12
InChIInChI=1S/C24H19N5O2/c1-3-12-26-24(30)18-8-4-5-9-20(18)28-23-19-14-17(31-2)10-11-21(19)27-22(29-23)16-7-6-13-25-15-16/h1,4-11,13-15H,12H2,2H3,(H,26,30)(H,27,28,29)
InChIKeyXVUDCQYCDXNQLF-UHFFFAOYSA-N
XLogP3.81
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide?
The IUPAC name of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide (CID 89347943) is 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OC)cc12.
What is the InChIKey of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide?
The InChIKey is XVUDCQYCDXNQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-3-12-26-24(30)18-8-4-5-9-20(18)28-23-19-14-17(31-2)10-11-21(19)27-22(29-23)16-7-6-13-25-15-16/h1,4-11,13-15H,12H2,2H3,(H,26,30)(H,27,28,29).
What are the key properties of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide?
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide has a molecular weight of 409.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide is sourced from PubChem (CID 89347943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).