(3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one

C19H27N5O — CID 95122974

IUPAC(3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one
SMILESCCCC[C@@H]1C(=O)N(C)CCN1c1nc(CCN)nc2ccccc12
InChIInChI=1S/C19H27N5O/c1-3-4-9-16-19(25)23(2)12-13-24(16)18-14-7-5-6-8-15(14)21-17(22-18)10-11-20/h5-8,16H,3-4,9-13,20H2,1-2H3/t16-/m1/s1
InChIKeyMTZYDGFIXLSSGL-MRXNPFEDSA-N
MW341.46 g/mol
LogP1.97
Rot. Bonds6

About (3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one

(3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one (PubChem CID 95122974) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one
PubChem CID95122974
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one
SMILESCCCC[C@@H]1C(=O)N(C)CCN1c1nc(CCN)nc2ccccc12
InChIInChI=1S/C19H27N5O/c1-3-4-9-16-19(25)23(2)12-13-24(16)18-14-7-5-6-8-15(14)21-17(22-18)10-11-20/h5-8,16H,3-4,9-13,20H2,1-2H3/t16-/m1/s1
InChIKeyMTZYDGFIXLSSGL-MRXNPFEDSA-N
XLogP1.97
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one?
The IUPAC name of (3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one (CID 95122974) is (3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one is CCCC[C@@H]1C(=O)N(C)CCN1c1nc(CCN)nc2ccccc12.
What is the InChIKey of (3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one?
The InChIKey is MTZYDGFIXLSSGL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-4-9-16-19(25)23(2)12-13-24(16)18-14-7-5-6-8-15(14)21-17(22-18)10-11-20/h5-8,16H,3-4,9-13,20H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one?
(3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one has a molecular weight of 341.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one is sourced from PubChem (CID 95122974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).