2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

C24H20N4O3 — CID 135659171

IUPAC2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESNc1nc2nc3c(c(-c4ccc(OCc5ccccc5)cc4)c2c(=O)[nH]1)C(=O)CCC3
InChIInChI=1S/C24H20N4O3/c25-24-27-22-21(23(30)28-24)19(20-17(26-22)7-4-8-18(20)29)15-9-11-16(12-10-15)31-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H3,25,26,27,28,30)
InChIKeyDAOYUWFYQVHULR-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.67
Rot. Bonds4

About 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (PubChem CID 135659171) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.

Molecular Properties

Compound Name2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
PubChem CID135659171
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESNc1nc2nc3c(c(-c4ccc(OCc5ccccc5)cc4)c2c(=O)[nH]1)C(=O)CCC3
InChIInChI=1S/C24H20N4O3/c25-24-27-22-21(23(30)28-24)19(20-17(26-22)7-4-8-18(20)29)15-9-11-16(12-10-15)31-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H3,25,26,27,28,30)
InChIKeyDAOYUWFYQVHULR-UHFFFAOYSA-N
XLogP3.67
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione with MolForge

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Related Compounds

2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one
CID 135435151
2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 168796540
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one
CID 135837392
[2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone
CID 102235937
3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 141093047
5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659204
(9S)-2-methyl-3-phenyl-9-(4-phenylmethoxyphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
CID 136836187
4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 10868375
4-phenylmethoxyaniline
CID 159966727
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The IUPAC name of 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (CID 135659171) is 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.
What is the SMILES notation for 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The canonical SMILES for 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is Nc1nc2nc3c(c(-c4ccc(OCc5ccccc5)cc4)c2c(=O)[nH]1)C(=O)CCC3.
What is the InChIKey of 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The InChIKey is DAOYUWFYQVHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c25-24-27-22-21(23(30)28-24)19(20-17(26-22)7-4-8-18(20)29)15-9-11-16(12-10-15)31-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H3,25,26,27,28,30).
What are the key properties of 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione has a molecular weight of 412.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is sourced from PubChem (CID 135659171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).