N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine

C22H23N5O4 — CID 67624600

IUPACN-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4c(cnn4CCC4OCCO4)c3)c2cc1OC
InChIInChI=1S/C22H23N5O4/c1-28-19-10-16-17(11-20(19)29-2)23-13-24-22(16)26-15-3-4-18-14(9-15)12-25-27(18)6-5-21-30-7-8-31-21/h3-4,9-13,21H,5-8H2,1-2H3,(H,23,24,26)
InChIKeyPXJOSJANTKDGRU-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.50
Rot. Bonds7

About N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine

N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 67624600) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID67624600
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4c(cnn4CCC4OCCO4)c3)c2cc1OC
InChIInChI=1S/C22H23N5O4/c1-28-19-10-16-17(11-20(19)29-2)23-13-24-22(16)26-15-3-4-18-14(9-15)12-25-27(18)6-5-21-30-7-8-31-21/h3-4,9-13,21H,5-8H2,1-2H3,(H,23,24,26)
InChIKeyPXJOSJANTKDGRU-UHFFFAOYSA-N
XLogP3.50
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine with MolForge

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Related Compounds

7-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-7-methoxyquinazolin-6-yl]oxyheptanoic acid
CID 141400532
ethyl 4-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-7-methoxyquinazolin-6-yl]oxybutanoate
CID 141400565
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 18770778
N-(1-benzylindazol-5-yl)-6-methoxy-7-[3-[methyl(2-methylsulfonylethyl)amino]propoxy]quinazolin-4-amine
CID 67565553
[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl] acetate
CID 155004316
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
CID 145270386
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxyquinazolin-4-amine
CID 141314754
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 16876701
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine (CID 67624600) is N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc4c(cnn4CCC4OCCO4)c3)c2cc1OC.
What is the InChIKey of N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is PXJOSJANTKDGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-28-19-10-16-17(11-20(19)29-2)23-13-24-22(16)26-15-3-4-18-14(9-15)12-25-27(18)6-5-21-30-7-8-31-21/h3-4,9-13,21H,5-8H2,1-2H3,(H,23,24,26).
What are the key properties of N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine?
N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 421.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-dioxolan-2-yl)ethyl]indazol-5-yl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 67624600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).