N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine

C21H22N6O — CID 78210205

IUPACN-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine
SMILESCc1cc(OCC2CCNC2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1
InChIInChI=1S/C21H22N6O/c1-13-6-16-10-23-21(25-17-3-2-15-11-24-27-18(15)8-17)26-20(16)19(7-13)28-12-14-4-5-22-9-14/h2-3,6-8,10-11,14,22H,4-5,9,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyHJFQPOQBBCZOGM-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.55
Rot. Bonds5

About N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine

N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine (PubChem CID 78210205) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine
PubChem CID78210205
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine
SMILESCc1cc(OCC2CCNC2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1
InChIInChI=1S/C21H22N6O/c1-13-6-16-10-23-21(25-17-3-2-15-11-24-27-18(15)8-17)26-20(16)19(7-13)28-12-14-4-5-22-9-14/h2-3,6-8,10-11,14,22H,4-5,9,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyHJFQPOQBBCZOGM-UHFFFAOYSA-N
XLogP3.55
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine
CID 78210203
[1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol
CID 59615314
N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine
CID 89028132
amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate
CID 148771208
2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine
CID 59615374
2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine
CID 68751951
6-(cyclopropylmethoxy)-1H-indazole
CID 67778171
5-(piperidin-3-ylmethoxy)-1H-indazole
CID 117051742
2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine
CID 59615277
(3S)-3-[(4-iodo-2-methylphenoxy)methyl]pyrrolidine;hydrochloride
CID 166175538
7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
CID 68751546
4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
CID 94408418

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine?
The IUPAC name of N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine (CID 78210205) is N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine.
What is the SMILES notation for N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine?
The canonical SMILES for N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine is Cc1cc(OCC2CCNC2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine?
The InChIKey is HJFQPOQBBCZOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13-6-16-10-23-21(25-17-3-2-15-11-24-27-18(15)8-17)26-20(16)19(7-13)28-12-14-4-5-22-9-14/h2-3,6-8,10-11,14,22H,4-5,9,12H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine?
N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine has a molecular weight of 374.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 78210205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).