4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline

C25H22N6 — CID 44574842

IUPAC4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
SMILESc1ccc(N2CCN(c3nc(-n4ccc5ccccc54)c4ccccc4n3)CC2)nc1
InChIInChI=1S/C25H22N6/c1-4-10-22-19(7-1)12-14-31(22)24-20-8-2-3-9-21(20)27-25(28-24)30-17-15-29(16-18-30)23-11-5-6-13-26-23/h1-14H,15-18H2
InChIKeyFCNUKIYDOXLLHI-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.30
Rot. Bonds3

About 4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline

4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline (PubChem CID 44574842) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
PubChem CID44574842
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC Name4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
SMILESc1ccc(N2CCN(c3nc(-n4ccc5ccccc54)c4ccccc4n3)CC2)nc1
InChIInChI=1S/C25H22N6/c1-4-10-22-19(7-1)12-14-31(22)24-20-8-2-3-9-21(20)27-25(28-24)30-17-15-29(16-18-30)23-11-5-6-13-26-23/h1-14H,15-18H2
InChIKeyFCNUKIYDOXLLHI-UHFFFAOYSA-N
XLogP4.30
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Imiquimod
CID 57469
2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
Miransertib
CID 53262401
CR-4056
CID 24898732
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Florquinitau
CID 118577045
7-(1-Ethyl-propyl)-7H-pyrrolo-[3,2-F]quinazoline-1,3-diamine
CID 1881
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Panulisib
CID 56947515
Zipalertinib
CID 117918742
Bag-956
CID 24882589

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline (CID 44574842) is 4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline is c1ccc(N2CCN(c3nc(-n4ccc5ccccc54)c4ccccc4n3)CC2)nc1.
What is the InChIKey of 4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
The InChIKey is FCNUKIYDOXLLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c1-4-10-22-19(7-1)12-14-31(22)24-20-8-2-3-9-21(20)27-25(28-24)30-17-15-29(16-18-30)23-11-5-6-13-26-23/h1-14H,15-18H2.
What are the key properties of 4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline?
4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline has a molecular weight of 406.49 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 44574842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).