ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate

C21H21FN4O2 — CID 133388577

IUPACethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1N1CCc2cnc(CC)nc2C1
InChIInChI=1S/C21H21FN4O2/c1-3-19-24-10-13-7-8-26(12-18(13)25-19)20-15-9-14(22)5-6-17(15)23-11-16(20)21(27)28-4-2/h5-6,9-11H,3-4,7-8,12H2,1-2H3
InChIKeyOOCPQQVYQHWJRW-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.47
Rot. Bonds4

About ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate

ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate (PubChem CID 133388577) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate
PubChem CID133388577
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Nameethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1N1CCc2cnc(CC)nc2C1
InChIInChI=1S/C21H21FN4O2/c1-3-19-24-10-13-7-8-26(12-18(13)25-19)20-15-9-14(22)5-6-17(15)23-11-16(20)21(27)28-4-2/h5-6,9-11H,3-4,7-8,12H2,1-2H3
InChIKeyOOCPQQVYQHWJRW-UHFFFAOYSA-N
XLogP3.47
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate with MolForge

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Related Compounds

Ethyl 5-amino-6,7,8,9-tetrahydro-2-methyl-4-phenylbenzo(1,8)naphthyridine-3-carboxylate
CID 6918662
Methyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
CID 1418188
3-(2-Pyridin-3-yl-quinazolin-4-ylamino)-benzoic acid methyl ester
CID 1186125
Ethyl 4-((2-(pyridin-3-yl)quinazolin-4-yl)amino)benzoate
CID 1186128
4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
ethyl 4-(3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxopyridin-1(2H)-yl)benzoate
CID 24879244
Ethyl 5-Amino-2-methyl-6,7,8,9-tetrahydrobenzo(b)(1,8)naphthyridine-3-carboxylate
CID 46861819
Methyl 3-(3-(1-(quinolin-2-yl)azetidin-3-yl)pyrazin-2-yl)benzoate
CID 58547203
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyrimidin-5-ylindole-3-carboxylate
CID 118436753
5-Cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
CID 1489435
Propyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate
CID 1563678
2-[(2-Phenylquinazolin-4-yl)amino]ethyl pyridine-3-carboxylate
CID 1643484

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate (CID 133388577) is ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(F)cc2c1N1CCc2cnc(CC)nc2C1.
What is the InChIKey of ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate?
The InChIKey is OOCPQQVYQHWJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-3-19-24-10-13-7-8-26(12-18(13)25-19)20-15-9-14(22)5-6-17(15)23-11-16(20)21(27)28-4-2/h5-6,9-11H,3-4,7-8,12H2,1-2H3.
What are the key properties of ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate?
ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate has a molecular weight of 380.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 133388577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).