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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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 135127846
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-propylbenzamide
CID 71180520
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
CID 144501294
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 144500726
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380
2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
CID 53303494
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide
CID 71180912

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).