tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate

C19H25N5O2 — CID 66958962

IUPACtert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate
SMILESCCn1nc2c(N)nc3ccccc3c2c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H25N5O2/c1-5-24-14(10-11-21-18(25)26-19(2,3)4)15-12-8-6-7-9-13(12)22-17(20)16(15)23-24/h6-9H,5,10-11H2,1-4H3,(H2,20,22)(H,21,25)
InChIKeyMCAMHZHDHNNWLZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.25
Rot. Bonds4

About tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate

tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate (PubChem CID 66958962) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate
PubChem CID66958962
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Nametert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate
SMILESCCn1nc2c(N)nc3ccccc3c2c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H25N5O2/c1-5-24-14(10-11-21-18(25)26-19(2,3)4)15-12-8-6-7-9-13(12)22-17(20)16(15)23-24/h6-9H,5,10-11H2,1-4H3,(H2,20,22)(H,21,25)
InChIKeyMCAMHZHDHNNWLZ-UHFFFAOYSA-N
XLogP3.25
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
N-[2-(4-amino-2-propylpyrazolo[3,4-c]quinolin-1-yl)ethyl]-3-chloropropane-1-sulfonamide
CID 66958452
tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate
CID 164926492
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate
CID 174665759
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]quinoline-2-carboxylic acid
CID 157399195
tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate
CID 86619532
tert-butyl N-[1-(4-hydroxybutyl)-2-propylpyrazolo[3,4-c]quinolin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 66958564
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
lithium;[1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] hexanoate;tert-butyl N-propylcarbamate;ethane
CID 162361121

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate (CID 66958962) is tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate is CCn1nc2c(N)nc3ccccc3c2c1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate?
The InChIKey is MCAMHZHDHNNWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-5-24-14(10-11-21-18(25)26-19(2,3)4)15-12-8-6-7-9-13(12)22-17(20)16(15)23-24/h6-9H,5,10-11H2,1-4H3,(H2,20,22)(H,21,25).
What are the key properties of tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate has a molecular weight of 355.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate is sourced from PubChem (CID 66958962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).