N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine

C24H31N5 — CID 133481242

IUPACN-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine
SMILESCN1CCN(CCC(C)(C)Nc2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C24H31N5/c1-24(2,13-14-29-17-15-28(3)16-18-29)27-23-20-11-7-8-12-21(20)25-22(26-23)19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3,(H,25,26,27)
InChIKeyRBKYNSSRBIPIIU-UHFFFAOYSA-N
MW389.55 g/mol
LogP4.12
Rot. Bonds6

About N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine

N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine (PubChem CID 133481242) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine
PubChem CID133481242
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC NameN-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine
SMILESCN1CCN(CCC(C)(C)Nc2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C24H31N5/c1-24(2,13-14-29-17-15-28(3)16-18-29)27-23-20-11-7-8-12-21(20)25-22(26-23)19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3,(H,25,26,27)
InChIKeyRBKYNSSRBIPIIU-UHFFFAOYSA-N
XLogP4.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625
1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60502729
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine
CID 166192855
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 133293050
2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 20963288
N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133481260
6-chloro-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpyrimidine-4,5-diamine
CID 89282848
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine
CID 122144352
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
CID 156820994
N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine
CID 133281826

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine (CID 133481242) is N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine is CN1CCN(CCC(C)(C)Nc2nc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine?
The InChIKey is RBKYNSSRBIPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-24(2,13-14-29-17-15-28(3)16-18-29)27-23-20-11-7-8-12-21(20)25-22(26-23)19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3,(H,25,26,27).
What are the key properties of N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine?
N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine has a molecular weight of 389.55 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 133481242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).