methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate

C23H25ClN4O4 — CID 169155311

IUPACmethyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)ccc1NC(C)c1cc(C)cc2c(=O)n(C)c(C3(OC)CC3)nc12
InChIInChI=1S/C23H25ClN4O4/c1-12-10-14(13(2)25-16-6-7-17(24)26-19(16)21(30)31-4)18-15(11-12)20(29)28(3)22(27-18)23(32-5)8-9-23/h6-7,10-11,13,25H,8-9H2,1-5H3
InChIKeyFEVBGTPGUDKFLI-UHFFFAOYSA-N
MW456.93 g/mol
LogP3.89
Rot. Bonds6

About methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate

methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate (PubChem CID 169155311) has the molecular formula C23H25ClN4O4 and a molecular weight of 456.93 g/mol. Its IUPAC name is methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate
PubChem CID169155311
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93 g/mol
Exact Mass456.16
IUPAC Namemethyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)ccc1NC(C)c1cc(C)cc2c(=O)n(C)c(C3(OC)CC3)nc12
InChIInChI=1S/C23H25ClN4O4/c1-12-10-14(13(2)25-16-6-7-17(24)26-19(16)21(30)31-4)18-15(11-12)20(29)28(3)22(27-18)23(32-5)8-9-23/h6-7,10-11,13,25H,8-9H2,1-5H3
InChIKeyFEVBGTPGUDKFLI-UHFFFAOYSA-N
XLogP3.89
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-chloro-3-[1-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate
CID 169155139
6-chloro-3-[[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 169155014
6-chloro-3-[[(1R)-1-[2-(1-cyanocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 169154776
methyl 6-chloro-3-[[(1R)-1-[2-(4,6-dimethyl-3-pyridinyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylate
CID 169154886
6-chloro-3-[[(1R)-1-[3,6-dimethyl-2-(1-methylcyclobutyl)-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 169154514
6-chloro-3-[[(1R)-1-[3,6-dimethyl-2-(1-methylcyclopentyl)-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 169154760
6-chloro-3-[[(1R)-1-[3,6-dimethyl-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 176864357
3-[1-[2-(1-bicyclo[1.1.0]butanyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]-6-chloropyridine-2-carboxylic acid
CID 170128940
methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride
CID 169154639
methyl 6-chloro-3-[[(1R)-1-[(3S)-7-methyl-9-oxospiro[1,2-dihydropyrrolo[2,1-b]quinazoline-3,3'-oxolane]-5-yl]ethyl]amino]pyridine-2-carboxylate
CID 171839381
methyl 6-chloro-3-[[(1R)-1-(2-chloro-8-methyl-10-oxo-12H-isoindolo[1,2-b]quinazolin-6-yl)ethyl]amino]pyridine-2-carboxylate
CID 178071676
6-chloro-3-[[(1R)-1-[2-[3-(fluoromethyl)-1-bicyclo[1.1.1]pentanyl]-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 176864254

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate (CID 169155311) is methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate is COC(=O)c1nc(Cl)ccc1NC(C)c1cc(C)cc2c(=O)n(C)c(C3(OC)CC3)nc12.
What is the InChIKey of methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate?
The InChIKey is FEVBGTPGUDKFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4/c1-12-10-14(13(2)25-16-6-7-17(24)26-19(16)21(30)31-4)18-15(11-12)20(29)28(3)22(27-18)23(32-5)8-9-23/h6-7,10-11,13,25H,8-9H2,1-5H3.
What are the key properties of methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate?
methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate has a molecular weight of 456.93 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-3-[1-[2-(1-methoxycyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 169155311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).