7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione

C17H15ClFN3O2 — CID 154593935

IUPAC7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione
SMILESCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C17H15ClFN3O2/c1-8(2)14-15(9(3)4-5-20-14)22-13-7-11(18)12(19)6-10(13)16(23)21-17(22)24/h4-8H,1-3H3,(H,21,23,24)
InChIKeyKXFCEWFQRXNFAF-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.30
Rot. Bonds2

About 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione

7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione (PubChem CID 154593935) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione
PubChem CID154593935
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione
SMILESCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C17H15ClFN3O2/c1-8(2)14-15(9(3)4-5-20-14)22-13-7-11(18)12(19)6-10(13)16(23)21-17(22)24/h4-8H,1-3H3,(H,21,23,24)
InChIKeyKXFCEWFQRXNFAF-UHFFFAOYSA-N
XLogP3.30
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-8-oxidopyrido[2,3-d]pyrimidin-8-ium-2,4-dione
CID 167376865
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione
CID 156678309
5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione
CID 165158840
6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 163236140
6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 151655175
5-chloro-8-fluoro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione;5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione
CID 167573891
6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
CID 164523585
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 153292541
7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one
CID 163560177
4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 156785247
4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-methylsulfanyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155727100
4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one
CID 156697793

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione?
The IUPAC name of 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione (CID 154593935) is 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione is Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)cc21.
What is the InChIKey of 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione?
The InChIKey is KXFCEWFQRXNFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-8(2)14-15(9(3)4-5-20-14)22-13-7-11(18)12(19)6-10(13)16(23)21-17(22)24/h4-8H,1-3H3,(H,21,23,24).
What are the key properties of 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione?
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione has a molecular weight of 347.78 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione is sourced from PubChem (CID 154593935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).