methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate

C21H20ClN5O3 — CID 91178291

IUPACmethyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nc(N3CCOCC3)nc(C3C=Cc4[nH]ccc4C3)c2n1
InChIInChI=1S/C21H20ClN5O3/c1-29-20(28)16-11-14(22)18-19(24-16)17(13-2-3-15-12(10-13)4-5-23-15)25-21(26-18)27-6-8-30-9-7-27/h2-5,11,13,23H,6-10H2,1H3
InChIKeyZJCNZWHZQRHNEH-UHFFFAOYSA-N
MW425.88 g/mol
LogP2.98
Rot. Bonds3

About methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate

methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate (PubChem CID 91178291) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
PubChem CID91178291
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC Namemethyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nc(N3CCOCC3)nc(C3C=Cc4[nH]ccc4C3)c2n1
InChIInChI=1S/C21H20ClN5O3/c1-29-20(28)16-11-14(22)18-19(24-16)17(13-2-3-15-12(10-13)4-5-23-15)25-21(26-18)27-6-8-30-9-7-27/h2-5,11,13,23H,6-10H2,1H3
InChIKeyZJCNZWHZQRHNEH-UHFFFAOYSA-N
XLogP2.98
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

methyl 4-(3-aminophenyl)-8-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
CID 89044316
methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
CID 58527409
methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 134159276
methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
CID 58508119
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate
CID 58477140
methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate
CID 162458558
methyl 4-chloro-3-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300469
methyl 3-[(3,4-dichlorobenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate
CID 17336341
methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate (CID 91178291) is methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate is COC(=O)c1cc(Cl)c2nc(N3CCOCC3)nc(C3C=Cc4[nH]ccc4C3)c2n1.
What is the InChIKey of methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The InChIKey is ZJCNZWHZQRHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c1-29-20(28)16-11-14(22)18-19(24-16)17(13-2-3-15-12(10-13)4-5-23-15)25-21(26-18)27-6-8-30-9-7-27/h2-5,11,13,23H,6-10H2,1H3.
What are the key properties of methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate has a molecular weight of 425.88 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91178291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).