1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone

C25H25N5O — CID 37132816

IUPAC1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
SMILESNc1nc(CN2CCN(C(=O)Cc3cccc4ccccc34)CC2)nc2ccccc12
InChIInChI=1S/C25H25N5O/c26-25-21-10-3-4-11-22(21)27-23(28-25)17-29-12-14-30(15-13-29)24(31)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2,(H2,26,27,28)
InChIKeyIXHACKMIVPZXQJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.25
Rot. Bonds4

About 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone

1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone (PubChem CID 37132816) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
PubChem CID37132816
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
SMILESNc1nc(CN2CCN(C(=O)Cc3cccc4ccccc34)CC2)nc2ccccc12
InChIInChI=1S/C25H25N5O/c26-25-21-10-3-4-11-22(21)27-23(28-25)17-29-12-14-30(15-13-29)24(31)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2,(H2,26,27,28)
InChIKeyIXHACKMIVPZXQJ-UHFFFAOYSA-N
XLogP3.25
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 37130459
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
N-[3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 37129953
N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide
CID 166411504
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33120826
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]ethanone
CID 112840899
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 33120411
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
CID 167806447
cis-(1R,3S)-3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065822
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34953369
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 37132587

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
The IUPAC name of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone (CID 37132816) is 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone is Nc1nc(CN2CCN(C(=O)Cc3cccc4ccccc34)CC2)nc2ccccc12.
What is the InChIKey of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
The InChIKey is IXHACKMIVPZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c26-25-21-10-3-4-11-22(21)27-23(28-25)17-29-12-14-30(15-13-29)24(31)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2,(H2,26,27,28).
What are the key properties of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone has a molecular weight of 411.51 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 37132816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).