N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide

C26H20N6O — CID 162434196

IUPACN-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1Cn2c(c(-c3cnc4ccccc4c3)c3c(N)ncnc32)-c2ccccc21
InChIInChI=1S/C26H20N6O/c1-2-21(33)31-20-13-32-24(18-9-5-4-8-17(18)20)22(23-25(27)29-14-30-26(23)32)16-11-15-7-3-6-10-19(15)28-12-16/h2-12,14,20H,1,13H2,(H,31,33)(H2,27,29,30)/t20-/m0/s1
InChIKeyRCSVYMDWOJFQJN-FQEVSTJZSA-N
MW432.49 g/mol
LogP4.25
Rot. Bonds3

About N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide

N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide (PubChem CID 162434196) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide
PubChem CID162434196
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC NameN-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1Cn2c(c(-c3cnc4ccccc4c3)c3c(N)ncnc32)-c2ccccc21
InChIInChI=1S/C26H20N6O/c1-2-21(33)31-20-13-32-24(18-9-5-4-8-17(18)20)22(23-25(27)29-14-30-26(23)32)16-11-15-7-3-6-10-19(15)28-12-16/h2-12,14,20H,1,13H2,(H,31,33)(H2,27,29,30)/t20-/m0/s1
InChIKeyRCSVYMDWOJFQJN-FQEVSTJZSA-N
XLogP4.25
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide with MolForge

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Related Compounds

N-[15-amino-4-(oxetan-3-yl)-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl]prop-2-enamide
CID 166941808
N-[(13S)-6-amino-8-quinolin-3-yl-1,3,5-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraen-13-yl]prop-2-enamide
CID 71721598
N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]-N-cyclopropylprop-2-enamide
CID 166941812
methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate
CID 162434200
N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide
CID 121433749
N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-4-[methyl(propan-2-yl)amino]but-2-enamide
CID 142747809
(4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid
CID 121433770
6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide
CID 144794394
tert-butyl N-[(8S)-4-amino-9-deuterio-6-methylidene-5-quinolin-3-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-8-yl]carbamate
CID 175855078
8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine
CID 86711284
4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol
CID 144794407
(8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine
CID 121298996

Frequently Asked Questions

What is the IUPAC name of N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide?
The IUPAC name of N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide (CID 162434196) is N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide.
What is the SMILES notation for N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide?
The canonical SMILES for N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide is C=CC(=O)N[C@H]1Cn2c(c(-c3cnc4ccccc4c3)c3c(N)ncnc32)-c2ccccc21.
What is the InChIKey of N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide?
The InChIKey is RCSVYMDWOJFQJN-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H20N6O/c1-2-21(33)31-20-13-32-24(18-9-5-4-8-17(18)20)22(23-25(27)29-14-30-26(23)32)16-11-15-7-3-6-10-19(15)28-12-16/h2-12,14,20H,1,13H2,(H,31,33)(H2,27,29,30)/t20-/m0/s1.
What are the key properties of N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide?
N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide has a molecular weight of 432.49 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R)-15-amino-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-8-yl]prop-2-enamide is sourced from PubChem (CID 162434196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).