6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide

C22H22N6O — CID 144794394

IUPAC6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide
SMILESC=CC(N)=O.CC1CCn2c1c(-c1cnc3ccccc3c1)c1c(N)ncnc12
InChIInChI=1S/C19H17N5.C3H5NO/c1-11-6-7-24-17(11)15(16-18(20)22-10-23-19(16)24)13-8-12-4-2-3-5-14(12)21-9-13;1-2-3(4)5/h2-5,8-11H,6-7H2,1H3,(H2,20,22,23);2H,1H2,(H2,4,5)
InChIKeySMHUERMQOQJLMX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.39
Rot. Bonds2

About 6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide

6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide (PubChem CID 144794394) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide.

Molecular Properties

Compound Name6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide
PubChem CID144794394
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide
SMILESC=CC(N)=O.CC1CCn2c1c(-c1cnc3ccccc3c1)c1c(N)ncnc12
InChIInChI=1S/C19H17N5.C3H5NO/c1-11-6-7-24-17(11)15(16-18(20)22-10-23-19(16)24)13-8-12-4-2-3-5-14(12)21-9-13;1-2-3(4)5/h2-5,8-11H,6-7H2,1H3,(H2,20,22,23);2H,1H2,(H2,4,5)
InChIKeySMHUERMQOQJLMX-UHFFFAOYSA-N
XLogP3.39
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol
CID 144794407
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-[(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
(E)-4-(dimethylamino)but-2-enamide;6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-4-amine
CID 144794405
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
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
[(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid
CID 121293422
(4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl)-tert-butylcarbamic acid
CID 121293423
8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine
CID 86711284
6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-4-amine;(E)-4-piperidin-1-ylbut-2-enamide
CID 144794388
(4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid
CID 121433770
(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 6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide?
The IUPAC name of 6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide (CID 144794394) is 6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide.
What is the SMILES notation for 6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide?
The canonical SMILES for 6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide is C=CC(N)=O.CC1CCn2c1c(-c1cnc3ccccc3c1)c1c(N)ncnc12.
What is the InChIKey of 6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide?
The InChIKey is SMHUERMQOQJLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5.C3H5NO/c1-11-6-7-24-17(11)15(16-18(20)22-10-23-19(16)24)13-8-12-4-2-3-5-14(12)21-9-13;1-2-3(4)5/h2-5,8-11H,6-7H2,1H3,(H2,20,22,23);2H,1H2,(H2,4,5).
What are the key properties of 6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide?
6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide has a molecular weight of 386.46 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide is sourced from PubChem (CID 144794394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).