N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide

C23H20N6O — CID 121433749

IUPACN-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1Cn2c(c(-c3cnc4ccccc4c3)c3c(N)ncnc32)C1=C
InChIInChI=1S/C23H20N6O/c1-4-18(30)28(3)17-11-29-21(13(17)2)19(20-22(24)26-12-27-23(20)29)15-9-14-7-5-6-8-16(14)25-10-15/h4-10,12,17H,1-2,11H2,3H3,(H2,24,26,27)
InChIKeyAABPHMBNZZDIHO-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.27
Rot. Bonds3

About N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide

N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide (PubChem CID 121433749) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide
PubChem CID121433749
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC NameN-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1Cn2c(c(-c3cnc4ccccc4c3)c3c(N)ncnc32)C1=C
InChIInChI=1S/C23H20N6O/c1-4-18(30)28(3)17-11-29-21(13(17)2)19(20-22(24)26-12-27-23(20)29)15-9-14-7-5-6-8-16(14)25-10-15/h4-10,12,17H,1-2,11H2,3H3,(H2,24,26,27)
InChIKeyAABPHMBNZZDIHO-UHFFFAOYSA-N
XLogP3.27
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide?
The IUPAC name of N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide (CID 121433749) is N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide?
The canonical SMILES for N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide is C=CC(=O)N(C)C1Cn2c(c(-c3cnc4ccccc4c3)c3c(N)ncnc32)C1=C.
What is the InChIKey of N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide?
The InChIKey is AABPHMBNZZDIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-4-18(30)28(3)17-11-29-21(13(17)2)19(20-22(24)26-12-27-23(20)29)15-9-14-7-5-6-8-16(14)25-10-15/h4-10,12,17H,1-2,11H2,3H3,(H2,24,26,27).
What are the key properties of N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide?
N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide has a molecular weight of 396.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 121433749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).