N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide

C19H28ClN3O2 — CID 18887067

IUPACN-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide
SMILESCCCCCCCC(=O)NN1C(=O)c2cc(Cl)ccc2NC1C(C)C
InChIInChI=1S/C19H28ClN3O2/c1-4-5-6-7-8-9-17(24)22-23-18(13(2)3)21-16-11-10-14(20)12-15(16)19(23)25/h10-13,18,21H,4-9H2,1-3H3,(H,22,24)
InChIKeyHHSDTJNLNBQPSO-UHFFFAOYSA-N
MW365.91 g/mol
LogP4.58
Rot. Bonds8

About N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide

N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide (PubChem CID 18887067) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide.

Molecular Properties

Compound NameN-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide
PubChem CID18887067
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide
SMILESCCCCCCCC(=O)NN1C(=O)c2cc(Cl)ccc2NC1C(C)C
InChIInChI=1S/C19H28ClN3O2/c1-4-5-6-7-8-9-17(24)22-23-18(13(2)3)21-16-11-10-14(20)12-15(16)19(23)25/h10-13,18,21H,4-9H2,1-3H3,(H,22,24)
InChIKeyHHSDTJNLNBQPSO-UHFFFAOYSA-N
XLogP4.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide?
The IUPAC name of N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide (CID 18887067) is N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide.
What is the SMILES notation for N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide?
The canonical SMILES for N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide is CCCCCCCC(=O)NN1C(=O)c2cc(Cl)ccc2NC1C(C)C.
What is the InChIKey of N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide?
The InChIKey is HHSDTJNLNBQPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-4-5-6-7-8-9-17(24)22-23-18(13(2)3)21-16-11-10-14(20)12-15(16)19(23)25/h10-13,18,21H,4-9H2,1-3H3,(H,22,24).
What are the key properties of N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide?
N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide has a molecular weight of 365.91 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide is sourced from PubChem (CID 18887067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).