7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione

C14H11ClN2O3 — CID 129279515

IUPAC7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1Cl
InChIInChI=1S/C14H11ClN2O3/c1-2-3-7-6-11-8(5-10(7)15)4-9-12(18)16-14(19)17-13(9)20-11/h4-6H,2-3H2,1H3,(H,16,18,19)
InChIKeyDCZXCSNLHKOFLQ-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.59
Rot. Bonds2

About 7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione

7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129279515) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129279515
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1Cl
InChIInChI=1S/C14H11ClN2O3/c1-2-3-7-6-11-8(5-10(7)15)4-9-12(18)16-14(19)17-13(9)20-11/h4-6H,2-3H2,1H3,(H,16,18,19)
InChIKeyDCZXCSNLHKOFLQ-UHFFFAOYSA-N
XLogP2.59
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-2-methyliminochromene-3-carboxamide
CID 658552
7-Fluoro-8-methylchromeno[2,3-d]pyrimidine-2,4-dione
CID 129279578
7-Chloro-chromeno[3,2-e]pyrimidine-2,4-dione
CID 12693911
7,8-Dimethylchromeno[2,3-d]pyrimidine-2,4-dione
CID 12693913
7,8-Dichlorochromeno[2,3-d]pyrimidine-2,4-dione
CID 23457434
8-Chlorochromeno[2,3-d]pyrimidine-2,4-dione
CID 23457483
6-Chlorochromeno[2,3-d]pyrimidine-2,4-dione
CID 23457487
8-Chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione
CID 23457503
8-Methylchromeno[2,3-d]pyrimidine-2,4-dione
CID 129279531
7-Chloro-9-methoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one
CID 129279546
7-Chloro-9-methoxychromeno[2,3-d]pyrimidine-2,4-dione
CID 129279549
7-Chloro-8-methylchromeno[2,3-d]pyrimidine-2,4-dione
CID 129292772

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione (CID 129279515) is 7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione is CCCc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1Cl.
What is the InChIKey of 7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DCZXCSNLHKOFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-2-3-7-6-11-8(5-10(7)15)4-9-12(18)16-14(19)17-13(9)20-11/h4-6H,2-3H2,1H3,(H,16,18,19).
What are the key properties of 7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione?
7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 290.71 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-propylchromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129279515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).