(6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate

C18H16ClN3O3 — CID 34106710

IUPAC(6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCc1cccc2c(=O)n(CCC(=O)OCc3ccc(Cl)nc3)cnc12
InChIInChI=1S/C18H16ClN3O3/c1-12-3-2-4-14-17(12)21-11-22(18(14)24)8-7-16(23)25-10-13-5-6-15(19)20-9-13/h2-6,9,11H,7-8,10H2,1H3
InChIKeyMONODAVFDVRBCN-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.89
Rot. Bonds5

About (6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate

(6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate (PubChem CID 34106710) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
PubChem CID34106710
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name(6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCc1cccc2c(=O)n(CCC(=O)OCc3ccc(Cl)nc3)cnc12
InChIInChI=1S/C18H16ClN3O3/c1-12-3-2-4-14-17(12)21-11-22(18(14)24)8-7-16(23)25-10-13-5-6-15(19)20-9-13/h2-6,9,11H,7-8,10H2,1H3
InChIKeyMONODAVFDVRBCN-UHFFFAOYSA-N
XLogP2.89
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 27147734
N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620
(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 55554777
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 55459792
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of (6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate (CID 34106710) is (6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for (6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for (6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate is Cc1cccc2c(=O)n(CCC(=O)OCc3ccc(Cl)nc3)cnc12.
What is the InChIKey of (6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The InChIKey is MONODAVFDVRBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-12-3-2-4-14-17(12)21-11-22(18(14)24)8-7-16(23)25-10-13-5-6-15(19)20-9-13/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
(6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate has a molecular weight of 357.80 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 34106710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).