(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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Related Compounds

2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine
CID 95130438
2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine
CID 50962042
[1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol
CID 50967083
(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine
CID 68905950
(3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol
CID 133127142
3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
CID 131941063
4-methyl-2-propylquinazoline
CID 102028335
1-[2-[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]quinolin-2-one
CID 97282208
(2S)-1-[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]pyrrolidine-2-carboxylate
CID 6985479
3-butyl-1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one
CID 131915293
2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 95131269
2-amino-3-butylquinazolin-4-one
CID 71653207

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).