2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C15H25N3O2 — CID 136779618

IUPAC2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCCCOCCCNc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C15H25N3O2/c1-2-3-10-20-11-6-9-16-15-17-13-8-5-4-7-12(13)14(19)18-15/h2-11H2,1H3,(H2,16,17,18,19)
InChIKeyOQAKSHVOPNUHTM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.27
Rot. Bonds8

About 2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 136779618) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID136779618
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCCCOCCCNc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C15H25N3O2/c1-2-3-10-20-11-6-9-16-15-17-13-8-5-4-7-12(13)14(19)18-15/h2-11H2,1H3,(H2,16,17,18,19)
InChIKeyOQAKSHVOPNUHTM-UHFFFAOYSA-N
XLogP2.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxypropylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136779964
2-(pentylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779858
2-[3-(diethylamino)propylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136779915
2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one
CID 136779616
2-butylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135617884
2-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611942
2-(4-ethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611961
2-[2-(methylamino)ethyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975333
2-butylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135504848
(2R)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)oxolane-2-carboxamide
CID 136584600
6-benzyl-3-(3-butoxypropylamino)-4H-1,2,4-triazin-5-one
CID 136779629
2-[2-(2,2,2-trifluoroethoxy)ethyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136842439

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 136779618) is 2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CCCCOCCCNc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is OQAKSHVOPNUHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-3-10-20-11-6-9-16-15-17-13-8-5-4-7-12(13)14(19)18-15/h2-11H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 279.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 136779618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).