2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine

C22H25N7O — CID 59615277

IUPAC2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine
SMILESCc1c(NCCN2CCOCC2)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12
InChIInChI=1S/C22H25N7O/c1-15-19(23-6-7-29-8-10-30-11-9-29)5-3-17-13-24-22(27-21(15)17)26-18-4-2-16-14-25-28-20(16)12-18/h2-5,12-14,23H,6-11H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyZXJAGYLEZSMDFT-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.30
Rot. Bonds6

About 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine

2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine (PubChem CID 59615277) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine
PubChem CID59615277
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine
SMILESCc1c(NCCN2CCOCC2)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12
InChIInChI=1S/C22H25N7O/c1-15-19(23-6-7-29-8-10-30-11-9-29)5-3-17-13-24-22(27-21(15)17)26-18-4-2-16-14-25-28-20(16)12-18/h2-5,12-14,23H,6-11H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyZXJAGYLEZSMDFT-UHFFFAOYSA-N
XLogP3.30
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine with MolForge

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Related Compounds

2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine
CID 59615374
N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine
CID 89028132
[1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol
CID 59615314
1-N-(2-morpholin-4-ylethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine
CID 167707859
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
N-(2-morpholin-4-ylethyl)-1H-indol-6-amine
CID 69376753
N-(1H-indazol-6-yl)morpholine-4-sulfonamide
CID 110706054
4-(5-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 59564852
4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 23536689
5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 117092137
2-fluoro-4-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 170324613
3-methyl-5-N-(2-morpholin-4-ylethyl)isoquinoline-5,8-diamine
CID 102712947

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine?
The IUPAC name of 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine (CID 59615277) is 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine.
What is the SMILES notation for 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine?
The canonical SMILES for 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine is Cc1c(NCCN2CCOCC2)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12.
What is the InChIKey of 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine?
The InChIKey is ZXJAGYLEZSMDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-15-19(23-6-7-29-8-10-30-11-9-29)5-3-17-13-24-22(27-21(15)17)26-18-4-2-16-14-25-28-20(16)12-18/h2-5,12-14,23H,6-11H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine?
2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine has a molecular weight of 403.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-morpholin-4-ylethyl)quinazoline-2,7-diamine is sourced from PubChem (CID 59615277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).