2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine

C22H25N7 — CID 59615374

IUPAC2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine
SMILESCc1c(NCCN2CCCC2)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12
InChIInChI=1S/C22H25N7/c1-15-19(23-8-11-29-9-2-3-10-29)7-5-17-13-24-22(27-21(15)17)26-18-6-4-16-14-25-28-20(16)12-18/h4-7,12-14,23H,2-3,8-11H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyBEMQATWEBQDDSZ-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.07
Rot. Bonds6

About 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine

2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine (PubChem CID 59615374) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine
PubChem CID59615374
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine
SMILESCc1c(NCCN2CCCC2)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12
InChIInChI=1S/C22H25N7/c1-15-19(23-8-11-29-9-2-3-10-29)7-5-17-13-24-22(27-21(15)17)26-18-6-4-16-14-25-28-20(16)12-18/h4-7,12-14,23H,2-3,8-11H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyBEMQATWEBQDDSZ-UHFFFAOYSA-N
XLogP4.07
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine?
The IUPAC name of 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine (CID 59615374) is 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine.
What is the SMILES notation for 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine?
The canonical SMILES for 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine is Cc1c(NCCN2CCCC2)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12.
What is the InChIKey of 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine?
The InChIKey is BEMQATWEBQDDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-15-19(23-8-11-29-9-2-3-10-29)7-5-17-13-24-22(27-21(15)17)26-18-6-4-16-14-25-28-20(16)12-18/h4-7,12-14,23H,2-3,8-11H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine?
2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine has a molecular weight of 387.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine is sourced from PubChem (CID 59615374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).