cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone

C19H28N4O — CID 133472550

IUPACcyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone
SMILESCc1nc2c(c(NC3CCN(C(=O)C4CCCC4)C3)n1)CCCC2
InChIInChI=1S/C19H28N4O/c1-13-20-17-9-5-4-8-16(17)18(21-13)22-15-10-11-23(12-15)19(24)14-6-2-3-7-14/h14-15H,2-12H2,1H3,(H,20,21,22)
InChIKeyADITWWDMVZILKK-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.87
Rot. Bonds3

About cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone

cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone (PubChem CID 133472550) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone
PubChem CID133472550
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Namecyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone
SMILESCc1nc2c(c(NC3CCN(C(=O)C4CCCC4)C3)n1)CCCC2
InChIInChI=1S/C19H28N4O/c1-13-20-17-9-5-4-8-16(17)18(21-13)22-15-10-11-23(12-15)19(24)14-6-2-3-7-14/h14-15H,2-12H2,1H3,(H,20,21,22)
InChIKeyADITWWDMVZILKK-UHFFFAOYSA-N
XLogP2.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone (CID 133472550) is cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone is Cc1nc2c(c(NC3CCN(C(=O)C4CCCC4)C3)n1)CCCC2.
What is the InChIKey of cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is ADITWWDMVZILKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13-20-17-9-5-4-8-16(17)18(21-13)22-15-10-11-23(12-15)19(24)14-6-2-3-7-14/h14-15H,2-12H2,1H3,(H,20,21,22).
What are the key properties of cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 133472550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).