(4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid

C21H18N6O2 — CID 121433770

IUPAC(4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid
SMILESCC1=CC(NC(=O)O)Cn2c1c(-c1cnc3ccccc3c1)c1c(N)ncnc12
InChIInChI=1S/C21H18N6O2/c1-11-6-14(26-21(28)29)9-27-18(11)16(17-19(22)24-10-25-20(17)27)13-7-12-4-2-3-5-15(12)23-8-13/h2-8,10,14,26H,9H2,1H3,(H,28,29)(H2,22,24,25)
InChIKeyNSCQQAITJCNKOV-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.28
Rot. Bonds2

About (4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid

(4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid (PubChem CID 121433770) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is (4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid.

Molecular Properties

Compound Name(4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid
PubChem CID121433770
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name(4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid
SMILESCC1=CC(NC(=O)O)Cn2c1c(-c1cnc3ccccc3c1)c1c(N)ncnc12
InChIInChI=1S/C21H18N6O2/c1-11-6-14(26-21(28)29)9-27-18(11)16(17-19(22)24-10-25-20(17)27)13-7-12-4-2-3-5-15(12)23-8-13/h2-8,10,14,26H,9H2,1H3,(H,28,29)(H2,22,24,25)
InChIKeyNSCQQAITJCNKOV-UHFFFAOYSA-N
XLogP3.28
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine
CID 167439544
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-[(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
8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine
CID 86711284
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
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
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
(8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine
CID 121298996
(4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl)-tert-butylcarbamic acid
CID 121293423
[(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid
CID 121293422
6-methyl-5-quinolin-3-yl-7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizin-4-amine;prop-2-enamide
CID 144794394

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid?
The IUPAC name of (4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid (CID 121433770) is (4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid.
What is the SMILES notation for (4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid?
The canonical SMILES for (4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid is CC1=CC(NC(=O)O)Cn2c1c(-c1cnc3ccccc3c1)c1c(N)ncnc12.
What is the InChIKey of (4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid?
The InChIKey is NSCQQAITJCNKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-11-6-14(26-21(28)29)9-27-18(11)16(17-19(22)24-10-25-20(17)27)13-7-12-4-2-3-5-15(12)23-8-13/h2-8,10,14,26H,9H2,1H3,(H,28,29)(H2,22,24,25).
What are the key properties of (4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid?
(4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid has a molecular weight of 386.42 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)carbamic acid is sourced from PubChem (CID 121433770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).