4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol

C19H17N5O — CID 144794407

IUPAC4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol
SMILESNc1ncnc2c1c(-c1cnc3ccccc3c1)c1n2CCCC1O
InChIInChI=1S/C19H17N5O/c20-18-16-15(12-8-11-4-1-2-5-13(11)21-9-12)17-14(25)6-3-7-24(17)19(16)23-10-22-18/h1-2,4-5,8-10,14,25H,3,6-7H2,(H2,20,22,23)
InChIKeyRTGOBWPEJHIHHX-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.06
Rot. Bonds1

About 4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol

4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol (PubChem CID 144794407) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol.

Molecular Properties

Compound Name4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol
PubChem CID144794407
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol
SMILESNc1ncnc2c1c(-c1cnc3ccccc3c1)c1n2CCCC1O
InChIInChI=1S/C19H17N5O/c20-18-16-15(12-8-11-4-1-2-5-13(11)21-9-12)17-14(25)6-3-7-24(17)19(16)23-10-22-18/h1-2,4-5,8-10,14,25H,3,6-7H2,(H2,20,22,23)
InChIKeyRTGOBWPEJHIHHX-UHFFFAOYSA-N
XLogP3.06
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide
CID 144794394
8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine
CID 86711284
(8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine
CID 121298996
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
(4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid
CID 121433770
[(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
N-(4-amino-6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-7-yl)-N-methylprop-2-enamide
CID 121433749
6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-4-amine;(E)-4-piperidin-1-ylbut-2-enamide
CID 144794388
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
(E)-4-(dimethylamino)but-2-enamide;6-methylidene-5-quinolin-3-yl-7,8-dihydropyrimido[5,4-b]pyrrolizin-4-amine
CID 144794405

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol?
The IUPAC name of 4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol (CID 144794407) is 4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol.
What is the SMILES notation for 4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol?
The canonical SMILES for 4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol is Nc1ncnc2c1c(-c1cnc3ccccc3c1)c1n2CCCC1O.
What is the InChIKey of 4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol?
The InChIKey is RTGOBWPEJHIHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-18-16-15(12-8-11-4-1-2-5-13(11)21-9-12)17-14(25)6-3-7-24(17)19(16)23-10-22-18/h1-2,4-5,8-10,14,25H,3,6-7H2,(H2,20,22,23).
What are the key properties of 4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol?
4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol has a molecular weight of 331.38 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-6-ol is sourced from PubChem (CID 144794407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).