6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine

C21H21ClN6O — CID 78210203

IUPAC6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine
SMILESClc1cc(OCC2CCCNC2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1
InChIInChI=1S/C21H21ClN6O/c22-16-6-15-10-24-21(26-17-4-3-14-11-25-28-18(14)8-17)27-20(15)19(7-16)29-12-13-2-1-5-23-9-13/h3-4,6-8,10-11,13,23H,1-2,5,9,12H2,(H,25,28)(H,24,26,27)
InChIKeyLDRRWPZMHCGGFV-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.28
Rot. Bonds5

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

6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine (PubChem CID 78210203) has the molecular formula C21H21ClN6O and a molecular weight of 408.89 g/mol. Its IUPAC name is 6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine
PubChem CID78210203
Molecular FormulaC21H21ClN6O
Molecular Weight408.89 g/mol
Exact Mass408.15
IUPAC Name6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine
SMILESClc1cc(OCC2CCCNC2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1
InChIInChI=1S/C21H21ClN6O/c22-16-6-15-10-24-21(26-17-4-3-14-11-25-28-18(14)8-17)27-20(15)19(7-16)29-12-13-2-1-5-23-9-13/h3-4,6-8,10-11,13,23H,1-2,5,9,12H2,(H,25,28)(H,24,26,27)
InChIKeyLDRRWPZMHCGGFV-UHFFFAOYSA-N
XLogP4.28
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine with MolForge

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Related Compounds

N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine
CID 78210205
5-(piperidin-3-ylmethoxy)-1H-indazole
CID 117051742
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
[1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol
CID 59615314
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
(3R)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 81124265
6-(cyclopropylmethoxy)-1H-indazole
CID 67778171
N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine
CID 89028132
N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 58865718
2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine
CID 59615374
amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate
CID 148771208
(3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine
CID 24774733

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine?
The IUPAC name of 6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine (CID 78210203) is 6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine?
The canonical SMILES for 6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine is Clc1cc(OCC2CCCNC2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1.
What is the InChIKey of 6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine?
The InChIKey is LDRRWPZMHCGGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O/c22-16-6-15-10-24-21(26-17-4-3-14-11-25-28-18(14)8-17)27-20(15)19(7-16)29-12-13-2-1-5-23-9-13/h3-4,6-8,10-11,13,23H,1-2,5,9,12H2,(H,25,28)(H,24,26,27).
What are the key properties of 6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine?
6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine has a molecular weight of 408.89 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-indazol-6-yl)-8-(piperidin-3-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 78210203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).